data_2yrv_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 2yrv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -89.45 -44.32 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.05 148.99 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 78.89 1.46 84.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.505 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -123.56 164.39 19.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 54' ' ' PHE . 29.2 t -73.66 139.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 19.0 m -142.2 158.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 68' ' ' LYS . 8.0 p -99.63 124.63 45.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.571 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 44.6 t -97.54 127.49 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.17 126.03 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 143.8 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.52 -24.58 34.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.068 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -87.56 -17.63 31.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -157.63 90.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -46.24 -25.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -68.56 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.45 129.79 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -143.48 145.79 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -132.8 147.18 64.45 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.97 148.76 35.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -161.25 135.71 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 27.1 tp -91.32 101.45 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 42.0 t -49.14 150.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 3.0 pt -163.63 177.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 t -116.83 146.68 38.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.72 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.27 -60.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.63 -63.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -53.16 132.39 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.62 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -51.12 -41.78 60.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.7 mm -47.38 95.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.8 m -84.13 116.52 22.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.71 116.67 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 168.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.87 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.11 24.52 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -126.92 162.25 26.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.246 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 151.2 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.0 tp -85.85 139.03 31.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.6 164.53 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.379 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 8.3 ttt180 -118.67 109.66 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 t -62.58 154.33 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.9 m-85 -111.72 12.15 21.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 98.3 mt -101.41 -64.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.16 -7.93 17.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t 64.38 49.34 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -107.47 160.04 15.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -94.43 110.4 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 87.8 m-85 -113.11 155.14 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 100.65 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.062 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.94 178.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.27 135.7 41.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.5 -17.66 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -14.01 58.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.0 -16.54 21.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 31.1 mt -88.59 157.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -168.77 135.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.27 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.6 p -146.52 163.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.9 OUTLIER -119.56 82.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 90' ' ' SER . 6.7 mm -79.62 -40.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -2.32 27.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.73 -7.42 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.13 157.03 88.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.22 40.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.4 OUTLIER -58.46 -20.32 44.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.1 OUTLIER -69.69 -44.2 70.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' LYS . 67.1 mm-40 -70.27 -46.22 64.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' THR . 26.3 mt -65.02 -55.64 17.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 42.9 t -46.63 -24.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 66.2 p -105.91 -87.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.455 ' N ' ' OG1' ' A' ' 82' ' ' THR . 2.2 mptp? -39.85 120.28 1.44 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.568 1.825 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.27 -31.11 1.35 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.54 -61.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -38.73 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.86 -54.74 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.51 -51.73 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -58.81 -48.01 82.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.9 mt -49.14 -45.04 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.237 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD1' HG13 ' A' ' 98' ' ' VAL . 47.6 t80 -69.28 -13.93 62.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.65 -10.08 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.69 -47.27 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.17 -14.34 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.1 mmm180 40.4 48.54 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.14 106.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.567 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.33 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 157.33 42.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.25 -17.96 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.2 -16.33 63.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.7 m0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 107.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.36 -48.57 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -72.15 149.09 45.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.411 ' N ' HD13 ' A' ' 13' ' ' LEU . . . 80.92 0.04 87.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -124.48 164.32 19.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 54' ' ' PHE . 53.9 t -73.77 135.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 67' ' ' ILE . 6.9 m -134.45 164.6 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 4.6 p -104.34 120.05 40.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.566 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 58.7 t -90.9 135.95 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -100.18 127.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 3.6 t -76.46 128.96 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -72.08 -8.69 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 2.2 mt-10 -138.25 58.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' SER . 7.0 mtt-85 -41.05 -28.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -73.46 -73.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -47.22 133.12 12.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -142.66 141.25 31.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 107.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.5 p90 -124.56 149.42 61.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.606 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.92 151.05 39.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -165.74 135.95 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 49.4 tp -91.1 114.41 26.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.23 151.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.92 -172.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 t -126.84 128.77 24.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.81 3.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -102.51 -52.9 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -67.5 138.34 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.44 -61.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 6.9 m-20 -45.25 -44.2 11.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mm -48.29 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.1 m -90.31 117.29 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -110.18 128.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.87 178.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.19 -2.91 58.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.5 24.81 7.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -134.97 162.55 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.73 128.38 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -129.33 159.26 41.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -115.51 111.76 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 t -66.66 152.43 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.725 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 41.9 m-85 -110.5 12.32 22.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.447 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 77.2 mt -102.26 -64.48 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -99.17 -9.42 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.6 p 64.38 44.39 4.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -112.04 164.59 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -97.87 118.53 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -119.88 152.53 37.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.8 t -116.89 106.68 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.49 178.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.09 136.24 38.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.04 -22.86 4.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -70.95 -27.11 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -24.33 31.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 17' ' ' VAL . 12.3 mt -84.6 140.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.67 144.55 19.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' LYS . 8.3 mt-10 -37.92 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 3.3 p -145.57 156.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -120.66 78.43 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -73.18 -43.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.99 -5.22 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -106.75 6.67 29.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.1 mt -87.06 156.54 54.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 137.61 21.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.0 -29.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -47.51 81.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LYS . 66.1 mm-40 -65.99 -48.72 70.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.5 mt -57.87 -55.03 40.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -47.71 -35.72 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 71.5 p -93.07 -86.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.59 117.72 1.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.447 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -51.63 -42.87 52.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' GLN . 27.1 mt -70.54 -54.26 12.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -37.66 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -55.73 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.04 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -59.5 -49.62 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.05 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -49.04 -48.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 2.7 t80 -65.76 -14.12 60.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -92.06 -9.93 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.53 -48.52 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.4 p -81.47 -10.8 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.0 mmt180 37.93 34.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.5 p -137.86 101.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.23 163.44 14.04 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 151.99 40.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -30.4 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.87 -27.91 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.725 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.6 m0 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 108.041 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 mt -86.71 -35.52 19.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.76 150.34 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.0 13.29 61.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.48 160.07 32.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 0.761 . . . . 0.0 109.353 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.628 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 8.1 t -79.24 142.3 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.37 157.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.477 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 26.7 p -99.56 128.5 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.582 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.8 t -99.57 132.48 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -94.79 129.66 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.6 121.07 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -19.47 64.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 m -96.86 -12.72 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -160.39 82.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -42.27 -35.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -58.0 -72.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -49.73 128.38 17.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CH2' HG22 ' A' ' 70' ' ' VAL . 38.6 p-90 -143.78 145.53 32.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.3 p90 -132.16 148.09 68.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -75.01 151.7 39.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -162.77 137.02 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 40.3 tp -91.18 110.99 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.59 147.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.5 pt -154.62 -177.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -124.12 142.16 39.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -52.28 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -52.34 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -45.99 133.17 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -129.73 -56.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -56.04 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.3 61.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -55.48 113.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 48' ' ' GLN . 78.8 t -77.84 137.4 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -80.28 -153.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -97.83 -34.03 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.55 23.0 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mt-30 -134.77 147.74 50.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 151.88 45.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.238 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.76 125.93 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.84 172.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 2.9 ttt180 -126.51 106.24 9.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -62.12 153.8 28.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 50.9 m-85 -110.08 14.62 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 79.0 mt -100.66 -63.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -105.38 -12.53 15.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 69.33 47.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.03 163.86 12.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -99.17 114.93 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 64.0 m-85 -120.54 151.89 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 t -117.9 103.19 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.81 178.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.49 134.81 40.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -49.87 -22.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -70.29 -42.67 71.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -20.68 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.0 mt -89.15 150.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.9 138.13 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.0 tm-20 -37.84 149.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.569 HG22 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.77 150.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -107.2 84.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 90' ' ' SER . 5.7 mm -79.09 -40.9 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.43 -5.52 37.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.45 12.19 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.6 mt -87.89 156.08 52.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.09 29.72 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 -22.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -59.39 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' LYS . 9.3 mt-10 -53.65 -46.97 70.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.53 -50.03 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 t -53.04 -20.31 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -113.53 -88.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.15 117.43 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.01 -38.64 31.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' GLN . 81.4 mt -73.3 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -36.58 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -63.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -40.19 -49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -60.98 -47.28 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.404 ' O ' ' OG1' ' A' ' 95' ' ' THR . 11.8 mt -49.92 -42.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.388 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 32' ' ' LEU . 72.6 t80 -70.83 -13.06 61.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.609 1.193 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.7 mt -92.9 -10.83 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.64 -50.25 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 31.0 p -79.67 -15.93 56.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 3.1 mmm180 41.07 48.55 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -163.53 109.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.31 163.04 15.55 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.97 155.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.69 -26.58 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.98 -36.69 72.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -77.18 -34.96 56.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.98 147.75 32.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.58 3.5 86.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.74 166.62 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.601 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 10.1 t -73.25 134.92 28.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 m -139.92 158.32 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.611 ' OG ' ' CE3' ' A' ' 28' ' ' TRP . 43.8 t -99.09 134.79 41.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.586 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 44.7 t -109.05 124.84 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 t -82.33 124.22 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 137.59 53.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.1 62.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -78.52 -25.66 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.63 94.34 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -44.73 -40.28 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -57.34 -68.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -46.2 131.1 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.165 . . . . 0.0 110.358 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CE3' ' OG ' ' A' ' 18' ' ' SER . 42.2 p-90 -143.89 144.66 31.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -130.28 145.59 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 147.56 34.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -160.12 138.77 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 36.1 tp -94.91 104.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.0 t -53.49 148.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -160.14 -176.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 t -123.77 129.53 24.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -52.87 62.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 -61.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 108.348 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -48.68 147.66 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -140.85 -54.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -50.46 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.19 61.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -52.34 143.79 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.1 t -114.62 132.26 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 166.99 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.15 64.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.71 24.39 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.41 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -132.6 161.75 33.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.12 147.64 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 tp -85.1 123.68 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -117.67 160.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HD3' ' CE3' ' A' ' 102' ' ' TRP . 11.1 ttt180 -112.48 110.11 20.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -62.53 154.33 29.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 35.6 m-85 -111.9 9.28 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.44 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.0 mt -96.65 -64.78 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.56 -10.51 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.422 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 9.6 p 67.98 50.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.6 -179.27 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.38 117.07 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.468 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 92.0 m-85 -119.08 156.22 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.72 99.47 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.29 178.74 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.08 134.57 43.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -54.11 -20.56 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.28 -18.69 52.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mt -85.94 145.62 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.74 136.16 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LYS . 13.6 mt-10 -38.75 146.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.56 147.98 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.1 m-20 -105.95 81.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 5.0 mm -76.22 -37.8 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' ' HE3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -73.75 -2.52 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 24.0 t30 -103.13 -10.13 19.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.46 153.39 90.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.01 33.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -22.7 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -48.25 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 57.8 mm-40 -66.22 -43.94 85.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 45.8 mt -64.42 -59.66 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -44.31 -26.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 80' ' ' LEU . 47.4 p -103.05 -88.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.9 117.04 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.44 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -54.71 -42.45 77.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD22 ' CH2' ' A' ' 28' ' ' TRP . 20.3 mt -71.28 -51.32 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.87 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.77 -45.79 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -57.01 -48.58 78.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.493 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -64.42 -46.59 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.9 mt -47.55 -49.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 27.1 t80 -66.71 -13.14 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.1 mt -93.04 -9.97 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.87 -50.61 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.5 p -78.89 -28.3 44.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 10.4 mmm180 56.49 40.68 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.28 101.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.24 163.13 15.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.0 Cg_endo -75.07 150.65 38.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.01 -24.79 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.187 . . . . 0.0 109.35 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.84 -16.29 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.512 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 8.9 m0 . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -89.8 -36.43 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -81.37 149.03 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HD13 ' A' ' 13' ' ' LEU . . . 77.45 1.54 76.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.57 170.0 10.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.434 HG23 ' CE2' ' A' ' 54' ' ' PHE . 88.9 t -74.02 146.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 67' ' ' ILE . 8.2 m -150.24 163.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.02 116.38 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.555 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 55.0 t -90.87 119.57 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.6 t -83.61 125.98 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -68.57 125.1 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.37 64.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.3 m -77.02 -7.84 56.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -142.2 80.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.33 -20.33 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 27' ' ' GLU . 1.7 m -82.43 -80.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' N ' HG21 ' A' ' 26' ' ' THR . 1.7 mm-40 -39.29 133.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CH2' HD23 ' A' ' 86' ' ' LEU . 45.5 p-90 -143.8 141.28 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.2 p90 -126.11 148.66 64.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.03 149.27 36.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -162.54 138.93 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 17.0 tp -91.29 111.13 22.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 83.3 t -64.0 141.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 18.4 pt -159.13 -175.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -124.09 147.64 55.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.573 1.828 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -60.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.38 -63.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.73 118.92 2.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -103.03 -58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.87 -49.26 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.1 mm -40.37 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -84.28 114.83 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.73 128.67 66.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -64.24 -170.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -87.52 -39.13 15.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 24.91 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -125.32 153.53 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.83 149.62 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' ILE . 31.0 tp -85.6 113.77 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.77 156.22 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 4.2 ttt180 -115.33 110.06 18.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -62.14 153.22 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 43.3 m-85 -109.79 11.74 24.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 90.0 mt -96.82 -64.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -101.54 -7.95 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 p 64.6 50.0 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -115.42 174.32 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 93.2 m-85 -106.01 127.09 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.468 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 70.9 m-85 -125.17 157.65 35.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.402 ' N ' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.35 98.62 6.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.66 178.65 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.85 141.1 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.83 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -19.46 58.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.49 -16.94 23.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 17' ' ' VAL . 18.9 mt -88.66 135.17 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.203 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -150.51 139.14 20.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -38.54 153.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 72' ' ' ILE . 1.4 p -146.49 171.26 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.411 ' CD1' HG22 ' A' ' 70' ' ' VAL . 4.5 mm -66.54 -43.97 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 93' ' ' LEU . 7.6 mt -73.91 -3.81 31.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -112.66 12.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.07 157.98 47.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.71 22.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -27.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -57.58 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.3 mt-10 -57.72 -50.85 71.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -50.51 -58.0 6.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -49.38 -58.23 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 66.2 p -67.9 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -45.15 116.38 2.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -41.66 -39.9 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.523 HD23 ' CH2' ' A' ' 28' ' ' TRP . 90.2 mt -63.44 -69.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -36.18 -59.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -66.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -45.75 -42.46 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -62.04 -47.32 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.929 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' OG1' ' A' ' 95' ' ' THR . 11.8 mt -49.77 -41.2 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 61.6 t80 -71.87 -14.36 61.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 7.2 mt -90.99 -10.27 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.97 -42.69 3.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 43.3 p -85.95 -40.61 15.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 27.0 mmm-85 65.26 38.39 5.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.232 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.95 101.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.12 163.04 14.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 152.46 40.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -22.78 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.04 -15.45 63.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 12.2 m0 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 38.7 mt -88.29 -36.66 16.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -75.95 148.44 38.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.24 14.5 66.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -130.52 163.51 26.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 0.715 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.621 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 24.9 t -75.66 144.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 67' ' ' ILE . 19.5 m -144.34 157.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 p -99.84 126.3 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.595 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 51.7 t -98.99 125.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.07 126.29 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 138.64 47.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -32.08 52.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.8 p -80.54 -21.52 41.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.47 86.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -40.37 -48.74 2.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -47.45 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -48.87 125.8 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.414 ' CH2' HG22 ' A' ' 70' ' ' VAL . 39.8 p-90 -143.85 145.18 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -132.75 146.78 62.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.93 152.29 40.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.91 143.64 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 21.8 tp -96.18 114.69 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' HD22 ' A' ' 13' ' ' LEU . 39.0 t -64.5 144.39 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.0 pt -155.72 -173.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -126.39 137.55 30.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 100.28 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p -107.17 -57.79 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 m -70.53 -62.97 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -46.2 167.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.47 -56.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 109.333 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.8 m-20 -50.55 -45.87 57.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.32 90.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.2 m -70.52 116.32 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.06 111.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.41 167.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -66.77 -35.89 81.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.95 19.71 12.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -117.77 163.92 15.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.74 148.18 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.0 119.68 25.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.58 158.19 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 2.5 ttt180 -118.07 108.46 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 t -62.62 154.04 30.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 47.1 m-85 -109.84 14.74 23.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 93.3 mt -98.89 -64.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -105.45 -9.3 17.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t 65.99 54.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 174.2 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 51.7 m-85 -107.62 108.48 19.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 94.2 m-85 -110.62 152.06 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.82 99.48 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.78 178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.78 141.7 34.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -15.48 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -11.97 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -22.84 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.428 ' CG2' HG21 ' A' ' 17' ' ' VAL . 13.9 mt -85.06 137.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -154.93 136.95 14.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 mt-10 -37.43 149.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG22 ' CH2' ' A' ' 28' ' ' TRP . 9.8 p -145.09 157.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -111.67 85.01 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 -38.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.42 -1.53 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.59 ' N ' HD21 ' A' ' 74' ' ' ASN . 1.3 m-80 -108.03 6.15 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.2 mt -85.0 155.13 61.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.4 31.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.62 -25.35 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.18 29.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 29.5 mm-40 -59.86 -39.62 85.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 47.6 mt -66.28 -55.28 16.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -54.82 -31.21 58.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.95 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.4 p -94.16 -87.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -45.43 117.57 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.25 -45.06 15.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.4 -59.1 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -40.23 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -50.42 3.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 54' ' ' PHE . . . -51.67 -48.9 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -63.16 -44.71 94.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.452 ' CG2' HG21 ' A' ' 95' ' ' THR . 7.4 mt -47.05 -51.86 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 32' ' ' LEU . 85.5 t80 -64.94 -14.07 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.13 -11.48 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.55 -47.68 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.452 HG21 ' CG2' ' A' ' 91' ' ' ILE . 12.3 p -81.67 -10.4 59.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.6 mmt180 40.54 43.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.7 p -168.87 121.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -67.18 163.18 48.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.04 151.92 39.95 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -25.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -61.06 -32.68 72.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m95 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 108.042 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.05 -35.33 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.383 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.54 147.84 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.33 86.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -119.74 169.29 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG21 ' CE2' ' A' ' 54' ' ' PHE . 32.1 t -73.44 136.82 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 67' ' ' ILE . 18.5 m -137.78 157.37 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.551 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 47.3 p -100.71 128.02 46.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.579 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.5 t -98.57 134.85 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.95 130.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -73.55 122.3 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.85 77.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -82.33 -11.59 58.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -139.26 69.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -43.81 -26.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.5 m -73.94 -78.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' O ' ' OG ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -40.53 132.1 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 110.329 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 35.8 p-90 -144.38 145.16 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.059 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.3 p90 -132.34 148.61 70.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.01 150.86 38.74 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -164.2 139.96 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 15' ' ' LYS . 43.0 tp -91.06 115.32 27.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.54 147.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pt -158.35 -174.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 146.84 61.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 m -107.26 -55.93 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.43 -62.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -50.42 130.54 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.46 -47.12 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.381 1.051 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' THR . 20.2 m-20 -45.7 -53.0 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.67 63.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ASP . 14.8 m -52.35 126.22 18.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.65 131.16 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 177.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -38.29 28.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -94.51 25.25 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -137.82 162.09 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.55 157.72 44.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 tp -88.55 141.91 28.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -135.61 166.37 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.62 105.95 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.1 t -62.3 153.74 29.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.798 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 62.2 m-85 -109.03 15.68 23.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 80.2 mt -98.71 -64.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -106.31 -10.94 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 m 69.02 50.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.039 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -110.29 171.47 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.29 115.2 29.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.473 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 95.3 m-85 -115.53 153.75 30.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 99.02 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.077 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.567 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.74 178.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.2 134.79 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -50.61 -21.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -71.41 -34.6 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -21.0 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 17' ' ' VAL . 16.5 mt -86.32 137.38 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.35 135.93 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' LYS . 19.8 mt-10 -36.68 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 72' ' ' ILE . 8.4 p -143.99 144.1 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.9 m-20 -102.68 90.39 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.478 HG23 ' CB ' ' A' ' 90' ' ' SER . 5.7 mm -81.54 -43.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.64 -6.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.365 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 46.4 t30 -103.53 5.43 36.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.57 153.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 144.16 30.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -46.38 -27.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -49.14 -42.12 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 82' ' ' THR . 38.5 mt -65.85 -62.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -45.12 -26.98 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 74.2 p -100.2 -89.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -43.88 120.16 3.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.8 -42.66 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.24 -67.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 0.789 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -43.89 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.17 -38.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -75.12 -47.71 27.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -57.26 -48.33 79.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.71 -50.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CD1' HG13 ' A' ' 98' ' ' VAL . 3.2 t80 -65.71 -13.55 59.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.06 -10.14 40.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.76 -44.19 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.0 p -85.98 -9.23 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 12.8 mmt85 37.85 34.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.13 98.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.14 163.21 14.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -74.98 156.01 43.03 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -17.92 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.44 -14.84 61.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.798 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 12.9 m0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 107.999 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.29 -40.77 12.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.41 148.74 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 1.83 79.91 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.36 166.5 13.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 96.7 t -73.53 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.9 164.92 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 1.7 p -101.73 123.99 46.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 28.0 t -99.25 127.54 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG21 ' CE ' ' A' ' 68' ' ' LYS . 10.7 t -83.96 126.07 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 145.19 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.77 -23.22 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.0 m -90.94 -11.97 37.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.59 86.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -39.33 -53.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -45.48 -67.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -47.71 130.05 14.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 70' ' ' VAL . 42.6 p-90 -142.35 141.48 32.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.615 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -124.07 147.4 54.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 149.66 37.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -163.12 139.81 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 15.9 tp -91.4 116.2 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 73.5 t -67.62 142.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 18.2 pt -157.81 -176.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -123.35 147.75 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.76 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -54.19 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -62.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.16 174.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -148.91 -54.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -54.26 -38.38 65.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.1 mm -51.13 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.5 m -77.33 111.06 12.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -108.32 135.33 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.83 171.58 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -78.16 -23.65 47.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.37 23.7 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -142.81 162.4 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 153.55 46.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 tp -85.1 129.76 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.2 m -125.58 154.61 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tpt180 -113.84 111.36 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -62.74 153.99 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 37.3 m-85 -110.24 13.91 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.1 mt -100.54 -64.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -105.88 -12.25 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 0.7 OUTLIER 69.6 50.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -107.71 146.8 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 29.9 m-85 -84.04 103.08 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 27.5 m-85 -109.18 148.02 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.87 99.8 7.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.65 178.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -94.25 133.43 37.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -54.29 -19.15 4.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 8.1 ptpt -70.23 -30.84 68.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 63' ' ' ALA . 2.3 p30 -82.49 -13.88 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mt -87.51 147.42 5.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' CE ' HG21 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -159.34 146.73 17.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.18 146.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.577 HG23 ' CH2' ' A' ' 28' ' ' TRP . 2.6 p -146.47 143.79 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.212 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -112.16 87.59 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' CD1' HG12 ' A' ' 70' ' ' VAL . 4.1 mm -77.96 -41.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -70.54 -5.53 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 2.0 t30 -109.68 12.63 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.6 mt -87.52 158.05 51.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.2 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.47 36.74 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -17.54 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -54.43 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.7 mt-10 -59.57 -59.57 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 mt -44.56 -57.48 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -47.3 -50.76 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 80.4 p -78.97 -85.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' CB ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -40.52 114.82 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.61 57.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 83' ' ' LYS . 97.3 mt -59.78 -64.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.71 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -39.69 -49.83 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -59.41 -46.5 88.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.24 -52.42 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 82.8 t80 -64.13 -14.31 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -90.91 -9.88 44.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.03 -46.13 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -82.94 -36.84 24.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm-85 61.51 46.93 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.34 102.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.577 HG13 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -61.94 163.21 13.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.06 150.64 38.19 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -22.03 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.68 -21.89 66.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 98' ' ' VAL . 14.0 m0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.7 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 34.9 mt -83.88 -38.35 21.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.16 146.53 41.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.64 14.77 72.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -130.47 158.71 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.602 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 30.0 t -78.91 144.54 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 33' ' ' VAL . 28.3 m -140.26 168.14 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.472 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p -98.43 114.64 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 80.4 t -92.2 112.57 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 ' CE ' ' A' ' 68' ' ' LYS . 21.7 t -77.96 119.6 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.207 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.14 125.85 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.84 69.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 m -81.01 -15.4 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -161.06 89.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -40.29 -57.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -42.89 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -46.72 128.46 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' HG23 ' A' ' 70' ' ' VAL . 39.5 p-90 -143.6 145.17 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.053 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.575 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -132.02 146.0 59.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.98 144.89 30.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -156.31 141.76 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 14.1 tp -91.15 121.26 32.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 17' ' ' VAL . 49.8 t -72.04 142.84 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 pt -154.49 -173.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 p -126.83 145.47 53.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 95.64 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -105.36 -60.56 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.936 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 t -78.33 -57.05 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 40' ' ' ASP . 6.9 t30 -55.0 163.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 15.3 m-20 -157.08 -49.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -46.54 -59.03 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 mt -69.41 62.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ASP . 13.2 t -52.25 147.25 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.28 125.82 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -63.64 173.01 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.23 69.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.28 25.09 7.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -134.85 162.61 31.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.73 144.65 27.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 tp -85.38 121.98 28.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.23 170.69 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 8.3 ttt85 -128.3 109.59 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.96 153.26 29.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 42.9 m-85 -109.15 12.22 25.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.8 mt -96.01 -62.41 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -103.19 -10.98 18.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 5.4 m 68.6 48.5 0.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -113.65 159.11 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 89.7 m-85 -92.49 131.36 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -137.71 155.96 48.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -118.01 107.98 14.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -114.3 178.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.87 134.83 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -25.46 6.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.61 -35.8 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -21.98 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.393 1.058 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 30.2 mt -84.75 148.8 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -158.5 27.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.375 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 8.8 tm-20 61.96 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.576 HG23 ' CH2' ' A' ' 28' ' ' TRP . 8.5 p -145.28 148.38 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -109.88 87.12 2.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.618 1.199 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.477 ' CD1' HG13 ' A' ' 70' ' ' VAL . 4.2 mm -74.73 -42.41 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.4 -7.44 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -105.24 12.11 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.65 155.38 42.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.17 25.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -46.27 -29.08 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -54.88 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.943 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.3 mt-10 -59.95 -57.02 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.7 mt -44.54 -57.71 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -44.34 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 82.4 p -85.92 -88.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.429 1.081 . . . . 0.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -39.97 114.37 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.443 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.7 -40.61 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 83' ' ' LYS . 95.1 mt -66.23 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -38.28 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.06 -49.69 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -57.23 -49.48 75.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.493 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -59.07 -46.95 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 mt -46.85 -51.15 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 32' ' ' LEU . 56.8 t80 -65.8 -15.09 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mt -89.56 -10.74 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.08 -43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.9 p -83.99 -37.71 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 20.3 mmm180 63.41 46.12 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.4 p -164.54 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.55 163.26 15.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.0 147.68 34.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -25.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.77 -34.05 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 12.5 m0 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -92.14 -36.75 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.08 148.56 27.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.83 2.17 75.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.0 161.89 20.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 0.721 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.631 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 54.5 t -73.49 127.19 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.2 m -127.8 157.94 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 p -99.47 125.67 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 t -96.7 132.45 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.35 129.64 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -73.31 124.02 24.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.2 -51.6 66.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.1 m -76.52 -12.64 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -136.81 93.81 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.51 -11.22 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -91.99 -71.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' A' ' 21' ' ' SER . 11.8 mm-40 -46.34 132.66 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.556 ' CH2' HG22 ' A' ' 70' ' ' VAL . 34.4 p-90 -144.12 145.64 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.987 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -130.91 148.37 69.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 146.02 32.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -158.76 135.73 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.7 tp -91.26 109.67 20.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.25 138.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.87 -173.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -129.03 146.52 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 95.88 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.44 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -55.44 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -57.78 133.99 55.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.4 -50.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.76 -50.2 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 3.0 mt -70.07 62.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASP . 10.3 t -52.35 143.33 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.32 131.06 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.16 -174.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -83.68 -38.32 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 25.27 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -134.63 164.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.8 150.51 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.3 tp -84.94 129.33 34.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 m -127.56 157.24 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 t -62.19 152.78 32.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 34.2 m-85 -108.3 16.93 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -99.96 -65.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -106.46 -9.12 16.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 5.9 p 67.89 47.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -108.64 171.25 7.53 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -95.57 127.95 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 81.2 m-85 -129.19 148.55 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.41 101.65 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.07 178.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.05 133.24 44.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -18.7 6.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.63 -15.03 59.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.62 -19.56 18.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.0 mt -85.12 150.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -162.96 137.04 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' LYS . 9.2 tm-20 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.6 127.52 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 74' ' ' ASN . 21.4 p-10 -93.02 87.6 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 90' ' ' SER . 4.7 mm -72.51 -40.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.26 -9.75 35.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB2' ' A' ' 71' ' ' ASP . 8.2 t30 -93.49 -3.31 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.5 mt -82.04 153.81 69.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.51 43.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.1 OUTLIER -58.03 -16.75 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 45.8 mm-40 -53.39 -45.73 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.24 -54.89 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 30.4 t -49.47 -22.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 69.4 p -104.75 -85.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -39.79 118.15 1.29 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.33 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.92 -45.5 96.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' GLN . 54.5 mt -66.51 -56.29 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.364 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -36.92 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -42.9 -53.81 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.07 -56.61 10.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -56.7 -49.07 76.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.4 mt -47.59 -49.9 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.476 ' CD1' HG12 ' A' ' 98' ' ' VAL . 41.2 t80 -66.49 -14.09 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -91.32 -9.61 44.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.47 -44.88 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.72 -32.07 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 5.2 mmm180 58.27 38.83 26.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.06 98.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -61.9 163.23 13.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -75.03 149.81 37.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -24.96 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.62 -16.59 26.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.429 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.1 m0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 107.968 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -90.34 -40.4 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 148.68 33.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.94 -1.35 84.73 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' N ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.56 171.49 8.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.577 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 38.8 t -73.48 138.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' CG2' ' A' ' 67' ' ' ILE . 18.9 m -140.48 157.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 29.8 p -100.57 127.77 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.569 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 29.8 t -99.68 121.28 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 25' ' ' ARG . 14.4 t -82.78 131.36 33.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -64.39 136.15 56.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.01 99.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.4 m -102.6 26.04 8.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' SER . 2.0 mt-10 -173.12 110.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 mpt_? -81.42 -15.3 55.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -82.81 -58.4 2.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.145 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.76 117.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CH2' HG22 ' A' ' 70' ' ' VAL . 50.4 p-90 -135.85 154.24 51.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -136.39 142.03 38.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.95 143.24 28.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -157.28 144.92 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 15' ' ' LYS . 36.6 tp -94.58 114.46 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 34' ' ' ILE . 75.8 t -66.86 146.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' VAL . 2.6 pt -158.73 -172.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 p -126.48 131.67 24.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 70.19 5.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -57.48 2.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.061 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -30.54 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -90.38 162.46 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -141.4 -53.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.7 m-20 -50.72 -37.67 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mm -56.84 88.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 21.9 m -77.62 104.77 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.65 139.83 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -73.92 169.86 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.62 -2.45 42.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -122.27 21.55 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.7 164.79 27.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.63 152.4 37.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 108.209 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -88.3 129.27 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' CG2' ' OH ' ' A' ' 29' ' ' TYR . 2.7 m -128.48 163.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 4.7 mtm180 -119.71 108.84 14.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -63.74 153.89 34.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.727 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 52.0 m-85 -109.36 10.94 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 97.6 mt -95.47 -63.94 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -102.09 -7.51 22.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.1 m 64.71 52.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 mmtt -115.59 173.8 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.6 m-85 -108.27 105.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 97.7 m-85 -110.52 148.6 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -117.02 105.99 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.02 178.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -88.03 138.16 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -58.99 -14.94 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 63' ' ' ALA . 3.0 p30 -81.67 -17.19 48.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.428 ' CG2' HG22 ' A' ' 17' ' ' VAL . 25.7 mt -87.21 131.36 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.54 138.02 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LYS . 10.4 tm-20 -37.01 141.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.579 HG22 ' CH2' ' A' ' 28' ' ' TRP . 8.1 p -142.98 133.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.2 m-20 -92.58 88.86 6.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' ILE . 5.3 mm -79.49 -46.33 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -9.3 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 55.5 t30 -96.88 3.77 51.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.94 153.92 57.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.9 30.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -45.87 -26.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -60.23 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.4 mm-40 -53.02 -48.66 67.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.47 -57.42 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -46.45 -43.59 16.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 81.4 p -82.94 -83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.463 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -47.83 121.41 8.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.86 -52.7 11.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 83' ' ' LYS . 70.1 mt -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -53.73 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -39.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -64.1 -50.34 68.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -61.73 -45.88 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.0 mt -47.51 -51.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CD1' HG11 ' A' ' 98' ' ' VAL . 11.0 t80 -64.73 -14.71 59.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.594 1.184 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -90.57 -10.62 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.52 -48.58 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.457 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 23.3 p -81.74 -5.99 58.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 23.0 mmt180 37.17 34.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 95' ' ' THR . 4.1 p -146.21 117.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -82.57 163.26 52.75 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.23 42.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 102' ' ' TRP . 4.1 m-20 -47.53 -35.61 9.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -49.84 -23.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 8.9 m0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 13.8 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -74.94 -41.11 60.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -70.15 144.4 52.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.9 15.79 79.56 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.14 159.16 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.657 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 43.0 t -73.54 130.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 31' ' ' ALA . 17.2 m -134.07 160.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 83.9 p -98.86 131.97 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 38.5 t -103.47 125.15 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t -89.84 128.32 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -71.23 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.87 82.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.1 m -84.16 0.08 50.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -150.39 80.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.227 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -54.69 -18.79 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -81.91 -75.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' O ' ' OG ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -43.32 132.0 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CH2' HD22 ' A' ' 86' ' ' LEU . 38.4 p-90 -144.23 146.79 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 1.4 p90 -133.53 149.46 72.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.63 17.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -145.69 136.87 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 31.9 tp -91.06 110.88 22.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 13' ' ' LEU . 61.9 t -58.21 143.48 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' VAL . 4.2 pt -156.85 178.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -121.04 145.68 42.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 99.31 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.63 -59.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.079 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -85.6 -39.66 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.271 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -70.06 113.81 7.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -110.45 -55.45 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.95 -55.17 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.25 61.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.6 t -52.22 145.91 10.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.25 127.7 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 164.25 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.4 75.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.4 25.49 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.62 162.29 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.92 154.71 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp -87.12 136.76 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.69 158.82 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -119.22 105.56 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' SER . 46.8 t -63.84 134.09 54.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.657 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 56.8 m-85 -88.47 20.45 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.1 mt -100.11 -64.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -102.39 -7.09 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' SER . 14.8 t 65.04 42.9 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.94 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -108.09 -171.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 73.6 m-85 -117.13 128.6 55.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 73.1 m-85 -127.47 156.55 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.19 101.28 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.75 178.59 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.46 138.11 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -21.64 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -74.93 -26.62 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -20.96 31.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.404 ' CG2' HG23 ' A' ' 17' ' ' VAL . 12.6 mt -86.19 143.33 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -159.81 139.79 11.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -37.27 147.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG23 ' CH2' ' A' ' 28' ' ' TRP . 4.2 p -146.53 138.91 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.446 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -101.46 87.28 3.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.56 -39.62 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.047 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.49 -4.18 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -109.6 12.57 24.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 86' ' ' LEU . 23.9 mt -89.08 156.54 49.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.55 35.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -20.47 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -62.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.9 mt-10 -52.52 -58.84 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.63 -54.62 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -49.43 -36.16 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' LYS . 70.0 p -94.7 -85.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -36.84 112.9 0.58 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -29.63 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -49.33 40.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.55 HD22 ' CH2' ' A' ' 28' ' ' TRP . 80.6 mt -55.82 -60.8 2.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -36.58 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -41.65 -58.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.74 -50.15 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -59.31 -46.88 87.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -48.82 -47.41 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CD1' HG13 ' A' ' 98' ' ' VAL . 81.5 t80 -66.8 -13.23 61.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.8 mt -93.67 -9.35 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.54 -46.61 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -83.0 -23.57 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 19.6 mmm180 49.95 41.5 23.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -163.08 105.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.563 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.1 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.98 155.02 42.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -47.47 -39.81 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -48.51 -26.1 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 10.7 m0 . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.42 HD23 ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -70.16 -47.31 62.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -62.49 144.61 55.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.56 65.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 16' ' ' VAL . 1.1 pttt -130.54 155.44 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.635 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 10.5 t -73.37 135.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' CG1' HD23 ' A' ' 12' ' ' LEU . 14.4 m -137.3 159.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.4 p -102.06 128.06 48.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.541 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 32.5 t -99.57 130.62 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.99 129.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.4 m -75.21 121.75 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -22.56 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -89.69 -29.16 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.6 pt-20 -145.38 77.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' GLU . 18.6 mmt85 -36.62 -32.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . 1.1 m -60.48 -65.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.69 128.85 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.6 p-90 -140.88 143.94 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -130.56 145.51 57.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.07 149.48 36.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -162.36 139.66 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 32.9 tp -94.27 115.6 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 13' ' ' LEU . 78.9 t -62.39 151.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 11.8 pt -160.7 -177.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.1 t -119.71 136.86 25.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.55 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -97.02 -56.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 m -79.68 -56.03 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.22 139.58 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.49 -61.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -45.18 -54.05 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.93 62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -52.21 133.73 33.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.59 118.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 157.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -62.83 -38.84 92.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -92.38 23.01 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.59 154.43 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.54 146.96 46.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 108.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -84.98 114.2 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -111.33 153.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NH1' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -111.55 112.23 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -62.67 152.88 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 44.7 m-85 -108.53 16.45 22.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.7 mt -99.85 -64.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -105.93 -12.16 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t 71.36 53.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -114.3 163.56 15.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.651 ' CE2' ' NH1' ' A' ' 52' ' ' ARG . 66.8 m-85 -94.69 118.47 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 85.6 m-85 -117.5 151.97 36.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.85 100.29 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.84 178.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.86 136.39 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -55.69 -18.67 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.28 -22.77 14.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 150.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -161.01 137.12 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.36 144.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 72' ' ' ILE . 2.6 p -146.52 143.79 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 25.0 m-20 -104.3 83.93 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 70' ' ' VAL . 4.0 mm -72.64 -39.26 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.44 ' CD2' ' HE3' ' A' ' 94' ' ' LYS . 1.1 mt -69.65 -6.84 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 18.2 t30 -99.64 -3.37 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.71 154.32 85.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.42 -29.1 2.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.6 mt-10 -46.06 -52.79 11.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' CD2' ' OG ' ' A' ' 90' ' ' SER . 47.2 mt -53.16 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -44.21 -58.61 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 55.0 p -66.43 -83.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.507 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -49.93 116.02 5.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.449 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -45.05 -34.52 4.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD21 ' CH2' ' A' ' 28' ' ' TRP . 25.3 mt -77.99 -53.27 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.15 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.66 -55.62 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.83 -49.9 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.1 -49.46 75.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.956 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.29 -42.31 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CD1' HG12 ' A' ' 98' ' ' VAL . 86.3 t80 -71.08 -13.39 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.0 mt -93.36 -9.97 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.68 -53.77 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 96' ' ' ARG . 16.5 p -78.28 -11.85 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm180 37.25 53.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.3 p -168.63 108.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.26 163.2 14.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 152.97 41.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -50.79 -27.59 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.64 -18.99 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 107.955 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.5 pt-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 12.1 mt -75.47 -51.83 12.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 141.9 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.74 23.32 68.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.15 163.65 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 19.1 t -84.89 121.94 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG22 ' CG2' ' A' ' 67' ' ' ILE . 15.0 m -124.16 168.3 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.464 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 78.9 p -103.47 130.99 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 41.0 t -101.75 114.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.99 130.83 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 t -75.91 134.31 40.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.92 60.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.5 p -99.18 -27.2 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.7 tp10 -144.98 81.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.3 mtt180 -37.58 -44.2 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -53.22 -64.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -52.38 124.34 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.464 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 42.3 p-90 -143.83 144.71 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 1.1 p90 -132.37 147.43 65.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -75.0 138.1 22.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.561 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -147.82 136.02 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 17.0 tp -91.22 112.61 24.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.94 149.96 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.7 pt -159.12 -179.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -123.7 137.78 29.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 67.32 5.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.451 1.763 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -91.87 -59.74 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.09 148.9 45.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -53.79 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 m-20 -53.99 -34.48 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.15 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m -83.41 108.27 16.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.71 127.38 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -169.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -89.11 -41.97 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.32 25.47 3.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -126.61 164.49 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.72 149.07 30.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' ILE . 62.8 tp -86.7 128.39 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 m -126.47 174.2 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -132.62 103.53 6.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -62.14 136.83 58.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 70.9 m-85 -89.6 21.81 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.425 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 78.9 mt -100.51 -63.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 56.4 t0 -102.95 -20.15 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.409 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 3.6 p 78.74 39.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -106.01 179.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.552 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 68.2 m-85 -105.69 136.53 45.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 70.0 m-85 -139.81 150.58 44.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 t -117.64 105.13 11.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -114.52 178.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.59 136.22 39.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -56.74 -17.9 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -14.12 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.82 -12.36 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 ' CG2' HG22 ' A' ' 17' ' ' VAL . 8.3 mt -96.73 144.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 144.06 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 147.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -147.04 147.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -112.52 86.52 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 72' ' ' ILE . 4.5 mm -77.84 -41.44 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.48 -6.73 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -103.3 0.74 31.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.1 mt -80.71 154.32 73.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.165 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.26 31.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -52.47 -20.43 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -48.2 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mm-40 -67.68 -46.21 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.14 -54.75 28.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 45.1 t -48.13 -23.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 81.7 p -106.23 -85.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.21 122.22 1.3 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.425 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -48.72 -53.95 15.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD22 ' CH2' ' A' ' 28' ' ' TRP . 58.1 mt -56.36 -56.9 15.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -36.03 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -61.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.15 -49.52 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.42 -48.74 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 mt -48.2 -46.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CD1' HG11 ' A' ' 98' ' ' VAL . 82.2 t80 -68.84 -14.37 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mt -91.5 -9.91 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.39 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.065 . . . . 0.0 109.244 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.7 p -84.55 -37.09 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 63.59 37.53 10.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.1 p -155.12 101.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.56 HG11 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.01 163.15 14.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -74.99 150.02 37.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.03 -28.14 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.47 -26.69 43.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 8.5 m0 . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.7 pt-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 39.3 mt -85.43 -51.03 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.95 152.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.6 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -134.95 149.66 50.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.717 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.577 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 51.4 t -73.18 134.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG21 ' CG2' ' A' ' 67' ' ' ILE . 15.9 m -132.95 162.38 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 p -102.59 122.64 44.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.56 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 8.7 t -93.93 127.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -92.11 125.17 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 7.4 t -73.94 127.49 33.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.01 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -76.72 -2.17 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.0 OUTLIER -145.14 72.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -50.06 -23.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -82.66 -69.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.34 132.39 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -143.87 146.19 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -128.71 146.79 61.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.062 . . . . 0.0 110.989 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.97 144.09 29.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.507 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.39 138.06 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 34.2 tp -91.41 126.41 36.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 79.0 t -71.27 140.71 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 21.1 pt -157.37 -178.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -122.83 144.9 43.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.53 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -55.29 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -71.9 175.03 6.17 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -60.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.4 m-20 -56.25 -40.44 74.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.46 82.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -80.39 120.1 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -99.68 146.02 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -74.17 -170.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -21.02 17.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -93.08 -20.13 20.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -103.86 163.42 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.26 151.59 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.345 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 tp -85.86 121.56 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -116.56 160.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -115.66 111.85 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 t -62.25 153.78 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 28.4 m-85 -111.99 9.43 20.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 92.8 mt -94.79 -64.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.0 -12.75 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p 72.26 50.34 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -107.55 172.95 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -104.53 107.96 19.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.46 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 90.6 m-85 -109.47 152.81 24.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.68 99.53 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.565 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.33 178.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.79 134.86 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -54.27 -19.69 5.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -20.19 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.22 -17.46 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.412 ' CG2' HG21 ' A' ' 17' ' ' VAL . 7.9 mt -86.85 147.07 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -160.24 139.84 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.5 mt-10 -38.07 144.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.62 148.06 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.449 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -111.91 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.3 mm -76.59 -41.14 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt -71.85 -6.33 40.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -104.08 8.87 36.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.93 156.04 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.1 Cg_endo -75.09 135.3 18.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 76' ' ' PRO . 0.2 OUTLIER -56.52 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 55.4 mm-40 -55.9 -48.76 75.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.56 -54.34 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -51.72 -45.82 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 72.0 p -81.7 -85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -43.58 118.5 2.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.73 -43.39 6.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.99 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.205 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -38.3 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -41.72 -59.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.86 -49.66 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -61.12 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.93 -50.18 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.447 ' CD1' HG11 ' A' ' 98' ' ' VAL . 75.7 t80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.8 mt -90.97 -11.01 40.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.7 -41.71 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 15.0 mmm180 61.58 36.51 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -153.03 106.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.569 HG13 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.38 163.3 14.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 153.88 41.98 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -44.82 -45.99 10.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -42.77 -28.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CE3' HG13 ' A' ' 98' ' ' VAL . 10.3 m0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.993 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.4 mt -84.34 -42.95 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.85 149.55 34.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 78.4 1.4 81.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.39 168.9 11.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.561 HG21 ' CE2' ' A' ' 54' ' ' PHE . 72.7 t -74.08 139.66 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.406 HG22 ' CG2' ' A' ' 67' ' ' ILE . 12.3 m -148.34 161.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 p -99.42 123.15 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 41.6 t -93.41 131.27 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 t -95.8 127.75 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 6.5 t -78.5 129.15 34.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.76 4.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 t -71.48 -13.7 61.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.458 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -133.16 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.8 mmt180 -42.3 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -75.43 -74.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' N ' HG21 ' A' ' 26' ' ' THR . 6.3 mt-10 -47.46 130.87 13.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 18' ' ' SER . 46.7 p-90 -141.92 143.78 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.9 p90 -126.83 150.31 71.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 151.62 40.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -164.63 137.7 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 19.7 tp -91.14 101.73 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.375 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 34' ' ' ILE . 94.2 t -54.51 144.7 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' N ' HG13 ' A' ' 33' ' ' VAL . 10.7 pt -153.81 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -125.99 142.58 42.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.466 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 18.3 Cg_endo -74.98 86.62 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t -102.74 -60.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -59.07 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 36' ' ' PRO . 3.4 p30 -62.85 171.34 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -147.87 -59.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 4.7 m-20 -46.66 -50.27 17.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.7 mt -40.57 98.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -80.52 116.3 20.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -110.74 115.23 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -51.66 179.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -78.06 -37.85 45.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.12 25.19 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.4 155.63 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 155.52 43.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.376 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -85.93 141.89 29.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -138.91 163.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -121.37 105.64 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -62.28 153.34 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CE2' HG21 ' A' ' 16' ' ' VAL . 64.8 m-85 -109.9 16.1 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.5 mt -101.28 -64.54 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.08 -8.07 17.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 t 63.83 55.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -116.13 169.01 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 55.5 m-85 -101.1 114.53 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 76.9 m-85 -116.52 156.73 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.92 101.01 7.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.99 178.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.28 137.87 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.07 9.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.63 -18.31 54.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -17.91 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.406 ' CG2' HG22 ' A' ' 17' ' ' VAL . 18.1 mt -84.84 147.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.97 145.1 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -37.66 151.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.449 ' CG1' HG12 ' A' ' 72' ' ' ILE . 14.7 p -133.22 163.52 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 5.8 m-20 -119.29 43.85 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 15.5 mm -48.54 -61.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.61 -7.86 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 2.7 m-80 -106.52 10.64 31.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 18.2 mt -91.64 157.29 42.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.73 24.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -26.73 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -56.9 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.8 mt-10 -59.1 -56.02 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 mt -47.34 -59.68 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 t -45.59 -52.32 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 68.6 p -75.01 -86.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -40.51 116.75 1.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.63 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -49.78 -48.04 37.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' GLN . 62.3 mt -58.57 -65.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -35.22 -66.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -45.17 -65.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 16' ' ' VAL . . . -44.08 -42.9 6.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.485 ' OG ' ' CG2' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -62.08 -48.8 78.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' OG1' ' A' ' 95' ' ' THR . 9.7 mt -49.01 -43.04 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.489 ' CD1' HG12 ' A' ' 98' ' ' VAL . 84.6 t80 -71.02 -14.52 62.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.3 -10.53 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.75 -41.75 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 43.6 p -85.78 -39.13 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 4.5 mmm180 65.24 35.32 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -151.82 103.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -61.86 162.86 14.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASN . 18.5 Cg_endo -75.04 144.14 29.76 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.445 1.761 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -24.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 99' ' ' PRO . 29.5 m-20 -55.31 -33.01 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 18.6 m0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.041 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.8 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HA ' ' CE ' ' A' ' 15' ' ' LYS . 10.7 mt -74.55 -46.94 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 140.97 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.32 26.6 68.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 12' ' ' LEU . 1.3 tttt -136.25 152.07 50.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 54' ' ' PHE . 55.9 t -72.37 136.22 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 67' ' ' ILE . 14.9 m -136.71 159.7 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -98.99 122.31 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.577 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 31.1 t -94.69 122.58 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -85.37 130.8 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -68.8 137.22 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -60.39 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 m -90.13 22.13 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -163.45 62.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.22 -38.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 HG21 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -59.73 -73.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.383 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' HG21 ' A' ' 26' ' ' THR . 3.7 mm-40 -46.5 130.8 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CH2' HG23 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.88 143.96 31.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 108.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.577 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -130.05 147.12 64.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.98 146.71 33.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.57 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -159.09 138.47 11.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 30.8 tp -91.28 118.27 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.12 146.46 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.2 pt -153.61 -173.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -125.92 127.26 24.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.053 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 t -102.26 -56.22 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.56 -58.5 3.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -48.87 122.01 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -111.35 -59.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -45.37 -55.33 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.94 60.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 t -65.8 142.65 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.6 t -113.32 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -55.66 -170.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -33.77 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.73 22.13 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -138.9 162.2 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -138.93 151.07 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.321 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.93 116.03 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.83 155.3 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 ttt180 -114.56 116.52 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -63.43 153.65 34.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 16' ' ' VAL . 29.0 m-85 -110.43 8.96 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 94.6 mt -93.88 -64.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 57' ' ' SER . 19.2 t70 -105.45 -20.13 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.2 m 82.57 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.03 154.13 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -91.69 119.5 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.468 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 84.3 m-85 -121.54 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.32 100.71 7.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.562 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.24 178.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.74 137.02 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -31.62 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.1 -27.84 67.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -24.96 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 17' ' ' VAL . 18.9 mt -84.75 139.35 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.88 137.78 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -38.62 142.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 HG23 ' CH2' ' A' ' 28' ' ' TRP . 9.0 p -138.35 154.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.225 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.11 86.94 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 90' ' ' SER . 6.2 mm -83.23 -40.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt -71.0 -5.42 31.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 21.8 m-80 -107.96 12.29 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.8 mt -87.93 154.83 52.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 144.47 29.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -22.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -49.51 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' LYS . 64.3 mm-40 -65.92 -47.04 76.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.84 -55.65 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.1 t -50.8 -38.65 49.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -89.2 -88.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -41.47 117.96 1.74 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -53.43 -53.24 36.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 83' ' ' LYS . 84.5 mt -55.01 -59.63 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -61.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.14 -49.16 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -63.46 -46.34 86.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' OG1' ' A' ' 95' ' ' THR . 9.4 mt -49.07 -46.67 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 32' ' ' LEU . 81.4 t80 -68.12 -13.97 62.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 mt -90.69 -12.34 37.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -114.68 -44.06 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.355 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 53.1 p -82.22 -31.98 30.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 1.3 mmm180 55.37 42.77 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.12 112.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.572 HG12 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -70.16 163.16 64.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.5 Cg_endo -74.85 150.18 38.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -50.38 -23.09 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -62.92 -26.38 68.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 14.3 m0 . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.6 pt-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' CD2' ' HE2' ' A' ' 15' ' ' LYS . 48.7 mt -86.2 -49.43 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.58 143.0 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.1 72.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.18 158.17 39.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 0.803 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.634 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 33.1 t -73.84 137.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -139.97 162.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.1 p -100.19 130.23 46.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 39.7 t -103.52 123.65 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -85.85 126.36 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.26 130.2 37.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -24.14 63.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 m -85.28 -22.74 28.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.04 86.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -39.44 -47.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -49.85 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.453 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.82 129.31 22.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -143.08 144.47 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 107.995 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -130.54 145.6 58.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -74.96 145.1 31.18 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -158.18 139.44 13.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.2 tp -91.79 115.31 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 52.0 t -61.2 144.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 12.9 pt -160.27 175.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.3 p -124.38 139.92 33.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -59.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.093 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -61.58 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -42.94 136.94 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.47 -61.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -45.3 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.6 90.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -73.69 114.77 12.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -106.15 114.15 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -53.87 167.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.47 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.27 24.16 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.87 163.72 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.69 153.42 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.23 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ILE . 39.2 tp -86.19 128.05 34.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.75 164.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 6.6 ttt180 -122.53 111.91 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -61.99 151.99 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 38.9 m-85 -108.44 13.05 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -99.14 -64.09 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 57' ' ' SER . 10.8 t0 -102.44 -22.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.9 p 82.89 43.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.1 177.84 4.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.33 115.39 27.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -120.44 152.14 38.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.64 1.212 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -116.95 105.53 12.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.05 178.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -96.68 130.83 43.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -21.48 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -74.18 -31.23 62.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.9 m-20 -80.09 -14.5 58.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 68' ' ' LYS . 18.5 mt -93.74 150.49 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -155.68 146.17 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.42 142.81 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.9 p -142.03 151.98 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 28.9 m-20 -117.08 81.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -68.25 -38.48 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.59 -8.93 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 5.4 m-20 -99.71 9.2 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.5 mt -90.51 154.07 46.16 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.409 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.3 Cg_endo -74.98 144.65 30.58 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.434 1.755 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -27.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 76' ' ' PRO . 0.2 OUTLIER -64.67 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.948 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -52.78 -39.2 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.8 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -44.43 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 39.4 p -64.23 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -41.0 117.7 1.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.17 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.57 -23.21 42.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.3 mt -92.77 -33.58 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -57.52 -74.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -50.69 51.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.81 -57.96 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -59.28 -46.64 87.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -48.67 -47.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CD1' HG11 ' A' ' 98' ' ' VAL . 73.0 t80 -67.75 -14.39 62.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -91.29 -10.52 41.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.12 -44.36 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -82.32 -28.96 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 15.7 mmm180 56.99 42.12 26.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.7 p -162.6 110.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.483 ' CG1' ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.37 163.1 15.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 151.71 40.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -21.81 3.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.73 -9.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 13.0 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.0 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 60.3 mt -71.49 -54.06 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.55 143.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.36 18.01 34.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -135.59 151.03 49.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.616 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 97.2 t -74.19 142.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.406 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 6.1 m -142.18 162.34 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 8.2 p -98.88 122.63 42.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 92.3 t -100.36 120.65 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 t -75.75 119.78 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 1.4 m -54.65 125.3 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.087 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.73 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -90.72 -9.7 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -138.73 104.1 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -65.04 -13.91 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -96.1 -78.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' THR . 2.6 mm-40 -38.49 134.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.66 144.26 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -124.39 146.44 52.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.03 143.87 29.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -155.92 140.71 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.8 tp -92.56 114.29 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.03 145.52 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.6 pt -154.82 -173.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 t -126.11 132.94 24.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.18 -49.68 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.65 -54.44 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -64.14 152.64 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 -58.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.11 -52.69 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.4 mm -71.17 60.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -57.78 144.97 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -112.61 129.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -83.37 -33.73 25.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 24.03 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -131.93 162.29 31.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.79 149.23 30.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 tp -85.06 123.11 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.6 155.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 4.3 ttt180 -112.56 106.96 15.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 153.77 29.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 53.5 m-85 -109.67 13.98 23.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.9 mt -97.89 -64.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -106.26 -11.9 15.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m 69.6 51.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -110.59 160.22 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 49.0 m-85 -95.66 108.25 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -115.57 152.77 32.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -117.12 108.27 15.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.02 178.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.11 134.54 42.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -18.78 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -78.7 -15.2 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -18.23 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.373 1.045 . . . . 0.0 109.218 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.406 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 19.5 mt -90.18 148.0 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' N ' HG22 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -153.94 144.14 22.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.6 146.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.571 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.1 p -145.3 147.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -117.57 81.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.9 mm -70.18 -43.09 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.11 -6.89 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -108.62 12.35 25.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 28.9 mt -94.28 158.22 36.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.07 34.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -27.06 22.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.67 -45.92 84.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.6 mt-10 -69.02 -47.36 65.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.27 -51.87 68.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 t -54.01 -44.2 70.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 72.7 p -83.51 -85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.97 112.56 0.93 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.94 8.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -68.88 -41.83 80.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.17 -52.73 45.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.17 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.96 -50.12 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' CB ' HG11 ' A' ' 16' ' ' VAL . . . -51.45 -50.45 59.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -60.97 -47.54 85.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.9 mt -48.63 -46.49 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CZ ' HD22 ' A' ' 32' ' ' LEU . 64.7 t80 -68.88 -12.63 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -93.52 -11.42 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.14 -52.57 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 96' ' ' ARG . 12.8 p -79.46 -9.76 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 4.8 mmm-85 37.48 52.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.2 p -169.61 111.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -62.31 162.89 16.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.11 152.05 39.78 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.501 1.79 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -45.26 -35.59 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -50.57 -43.33 56.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m95 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.6 pt-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 17.0 mt -77.96 -50.57 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 142.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.26 12.11 49.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 1.1 tttt -132.89 152.77 51.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 55.8 t -73.0 147.15 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 67' ' ' ILE . 14.4 m -145.28 166.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 66.8 p -104.61 128.93 52.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 6.8 t -100.91 125.29 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.69 128.07 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.8 136.58 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.93 -18.43 59.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 m -92.93 -23.06 18.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.81 90.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -44.46 -36.09 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -68.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.27 127.92 18.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CH2' HG23 ' A' ' 70' ' ' VAL . 37.7 p-90 -143.75 145.48 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -129.93 147.66 66.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.94 149.54 37.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -165.03 135.47 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 51.0 tp -91.35 118.55 30.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.63 146.12 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.419 HD13 ' CD2' ' A' ' 50' ' ' LEU . 1.2 pt -154.58 -171.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -128.32 146.71 60.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -54.94 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.74 -60.3 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -47.32 144.98 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 -55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' THR . 37.9 m-20 -43.41 -55.38 4.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.33 61.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' ASP . 3.2 m -56.02 142.35 36.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.6 t -103.13 155.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -109.38 -156.45 0.59 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -94.69 -24.47 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.79 20.65 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -139.79 155.2 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 154.25 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 34' ' ' ILE . 25.3 tp -86.01 149.25 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.8 163.79 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 3.8 tpp180 -116.25 108.64 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -65.84 153.21 42.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.786 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 51.0 m-85 -111.8 6.26 19.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.613 1.196 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.404 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 5.0 mp -94.17 -64.61 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -99.18 -9.12 24.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.393 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p 64.95 43.6 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -115.05 173.2 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 89.1 m-85 -96.32 147.46 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 71.0 m-85 -148.39 148.63 30.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.56 101.83 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.86 178.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.79 134.07 41.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -23.54 6.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -23.58 61.89 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.34 -22.81 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 17' ' ' VAL . 13.9 mt -86.54 141.29 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.0 141.56 17.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.234 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -37.99 148.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.514 HG23 ' CH2' ' A' ' 28' ' ' TRP . 7.2 p -144.94 148.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.7 m-20 -109.09 85.2 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 72' ' ' ILE . 4.3 mm -77.51 -46.68 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.9 -10.17 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 51.3 t30 -100.98 12.09 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' A' ' 86' ' ' LEU . 59.5 mt -92.17 153.63 43.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -25.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -52.46 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.944 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.4 mt-10 -60.26 -51.14 70.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -53.46 -55.81 22.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -50.16 -51.73 41.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 70.9 p -74.31 -84.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.3 124.38 1.74 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.19 -51.61 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 83' ' ' LYS . 74.0 mt -50.5 -49.25 56.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -50.2 -57.56 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.21 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -39.57 -56.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.045 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.407 ' O ' ' OG1' ' A' ' 95' ' ' THR . 9.6 mt -49.12 -43.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CD1' HG13 ' A' ' 98' ' ' VAL . 73.5 t80 -70.31 -14.27 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.3 mt -91.98 -10.64 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.51 -50.57 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ARG . 33.2 p -79.48 -12.17 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 1.9 mmm-85 37.28 51.12 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.6 p -168.86 106.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.08 15.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.39 42.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.16 -35.03 10.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -52.25 -25.46 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.786 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 m0 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -147.15 -59.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 43.27 78.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.66 126.72 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.45 89.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 p -84.82 102.6 13.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.68 63.08 1.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt 47.35 94.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -79.34 137.77 37.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.61 168.72 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 9.2 pt-20 -101.45 -43.6 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -89.45 -44.32 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.05 148.99 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 78.89 1.46 84.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -123.56 164.39 19.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 54' ' ' PHE . 29.2 t -73.66 139.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 19.0 m -142.2 158.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 68' ' ' LYS . 8.0 p -99.63 124.63 45.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.571 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 44.6 t -97.54 127.49 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.17 126.03 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 143.8 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.52 -24.58 34.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.068 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -87.56 -17.63 31.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -157.63 90.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -46.24 -25.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -68.56 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.45 129.79 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -143.48 145.79 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -132.8 147.18 64.45 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.97 148.76 35.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -161.25 135.71 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 27.1 tp -91.32 101.45 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 42.0 t -49.14 150.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 3.0 pt -163.63 177.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 t -116.83 146.68 38.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.72 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.27 -60.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.63 -63.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -53.16 132.39 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.62 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -51.12 -41.78 60.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.7 mm -47.38 95.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.8 m -84.13 116.52 22.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.71 116.67 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 168.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.87 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.11 24.52 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -126.92 162.25 26.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.246 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 151.2 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.0 tp -85.85 139.03 31.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.6 164.53 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.379 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 8.3 ttt180 -118.67 109.66 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 t -62.58 154.33 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.9 m-85 -111.72 12.15 21.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.467 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 98.3 mt -101.41 -64.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.16 -7.93 17.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t 64.38 49.34 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -107.47 160.04 15.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -94.43 110.4 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 87.8 m-85 -113.11 155.14 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.95 100.65 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.062 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.94 178.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.27 135.7 41.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.5 -17.66 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -14.01 58.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.0 -16.54 21.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 31.1 mt -88.59 157.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -168.77 135.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.27 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.6 p -146.52 163.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.9 OUTLIER -119.56 82.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 90' ' ' SER . 6.7 mm -79.62 -40.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -2.32 27.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.73 -7.42 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.1 mt -68.13 157.03 88.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.22 40.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.4 OUTLIER -58.46 -20.32 44.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.1 OUTLIER -69.69 -44.2 70.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' LYS . 67.1 mm-40 -70.27 -46.22 64.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 82' ' ' THR . 26.3 mt -65.02 -55.64 17.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 42.9 t -46.63 -24.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 66.2 p -105.91 -87.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.455 ' N ' ' OG1' ' A' ' 82' ' ' THR . 2.2 mptp? -39.85 120.28 1.44 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.568 1.825 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.27 -31.11 1.35 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.54 -61.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -38.73 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.86 -54.74 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -49.51 -51.73 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -58.81 -48.01 82.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.9 mt -49.14 -45.04 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.237 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD1' HG13 ' A' ' 98' ' ' VAL . 47.6 t80 -69.28 -13.93 62.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.65 -10.08 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.69 -47.27 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.17 -14.34 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 23.1 mmm180 40.4 48.54 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.14 106.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.567 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.33 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 157.33 42.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.25 -17.96 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.2 -16.33 63.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.7 m0 -101.06 -54.89 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 107.957 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 55.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 60.4 tpp -61.75 -69.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 176.68 39.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 109' ' ' ILE . 0.7 OUTLIER -147.85 -47.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.9 p -45.49 -30.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.77 -33.46 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 106' ' ' ILE . 87.5 mt -61.24 -20.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -71.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.39 178.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.243 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -79.63 74.28 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.42 -157.68 25.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.0 t -175.61 77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.55 146.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.626 1.204 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m 63.84 113.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.39 153.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.99 150.87 0.63 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -166.25 115.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 0.749 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m 61.75 156.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.85 -122.31 0.78 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.37 82.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 0.743 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.37 -69.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.36 168.77 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.79 -60.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.36 -48.57 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -72.15 149.09 45.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.411 ' N ' HD13 ' A' ' 13' ' ' LEU . . . 80.92 0.04 87.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -124.48 164.32 19.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 54' ' ' PHE . 53.9 t -73.77 135.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 67' ' ' ILE . 6.9 m -134.45 164.6 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 4.6 p -104.34 120.05 40.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.566 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 58.7 t -90.9 135.95 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -100.18 127.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 3.6 t -76.46 128.96 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -72.08 -8.69 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 2.2 mt-10 -138.25 58.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' SER . 7.0 mtt-85 -41.05 -28.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -73.46 -73.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -47.22 133.12 12.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -142.66 141.25 31.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 107.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.5 p90 -124.56 149.42 61.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.92 151.05 39.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -165.74 135.95 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 49.4 tp -91.1 114.41 26.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.23 151.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.92 -172.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 t -126.84 128.77 24.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.81 3.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -102.51 -52.9 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -67.5 138.34 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.44 -61.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 6.9 m-20 -45.25 -44.2 11.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mm -48.29 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.1 m -90.31 117.29 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -110.18 128.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.87 178.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.19 -2.91 58.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.5 24.81 7.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -134.97 162.55 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.73 128.38 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -129.33 159.26 41.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -115.51 111.76 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 t -66.66 152.43 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.725 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 41.9 m-85 -110.5 12.32 22.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.447 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 77.2 mt -102.26 -64.48 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -99.17 -9.42 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.6 p 64.38 44.39 4.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -112.04 164.59 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -97.87 118.53 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -119.88 152.53 37.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.8 t -116.89 106.68 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.49 178.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.09 136.24 38.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.04 -22.86 4.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -70.95 -27.11 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.77 -24.33 31.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 17' ' ' VAL . 12.3 mt -84.6 140.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.67 144.55 19.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' LYS . 8.3 mt-10 -37.92 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 3.3 p -145.57 156.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -120.66 78.43 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -73.18 -43.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.99 -5.22 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -106.75 6.67 29.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.1 mt -87.06 156.54 54.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 137.61 21.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.0 -29.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -47.51 81.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LYS . 66.1 mm-40 -65.99 -48.72 70.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.5 mt -57.87 -55.03 40.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -47.71 -35.72 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 71.5 p -93.07 -86.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.59 117.72 1.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.447 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -51.63 -42.87 52.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' GLN . 27.1 mt -70.54 -54.26 12.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -37.66 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -55.73 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.04 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -59.5 -49.62 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.05 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -49.04 -48.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 2.7 t80 -65.76 -14.12 60.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -92.06 -9.93 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.53 -48.52 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.4 p -81.47 -10.8 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.0 mmt180 37.93 34.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.5 p -137.86 101.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.23 163.44 14.04 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 151.99 40.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -30.4 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.87 -27.91 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.725 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.6 m0 -98.53 -60.66 1.5 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 108.041 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 78.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.4 mtt -92.36 75.07 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.04 -55.61 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 tt -84.62 -20.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -63.76 -15.54 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -107.35 -24.75 11.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.77 -16.76 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mt -45.24 -63.87 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -179.95 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 171.49 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.78 165.06 11.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 114.65 4.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.1 p -162.54 -63.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.11 149.35 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.394 1.059 . . . . 0.0 111.003 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.89 86.95 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -172.97 99.27 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.428 1.08 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.09 85.11 1.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -146.38 149.03 32.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 0.736 . . . . 0.0 110.085 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -169.32 -62.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.7 -74.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 mt 72.05 -73.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -123.43 111.4 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 1.1 m-20 62.32 128.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -87.86 -40.08 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 mt -86.71 -35.52 19.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -77.76 150.34 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.0 13.29 61.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.48 160.07 32.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 0.761 . . . . 0.0 109.353 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.628 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 8.1 t -79.24 142.3 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.37 157.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.477 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 26.7 p -99.56 128.5 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.582 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.8 t -99.57 132.48 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -94.79 129.66 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.6 121.07 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -19.47 64.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 m -96.86 -12.72 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -160.39 82.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -42.27 -35.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -58.0 -72.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -49.73 128.38 17.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CH2' HG22 ' A' ' 70' ' ' VAL . 38.6 p-90 -143.78 145.53 32.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.3 p90 -132.16 148.09 68.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -75.01 151.7 39.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -162.77 137.02 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 40.3 tp -91.18 110.99 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.59 147.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.5 pt -154.62 -177.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -124.12 142.16 39.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -52.28 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -52.34 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -45.99 133.17 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -129.73 -56.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -56.04 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.3 61.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -55.48 113.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 48' ' ' GLN . 78.8 t -77.84 137.4 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -80.28 -153.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -97.83 -34.03 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.55 23.0 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mt-30 -134.77 147.74 50.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 151.88 45.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.238 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.76 125.93 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.84 172.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 2.9 ttt180 -126.51 106.24 9.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -62.12 153.8 28.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 50.9 m-85 -110.08 14.62 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 79.0 mt -100.66 -63.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -105.38 -12.53 15.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 69.33 47.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.03 163.86 12.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -99.17 114.93 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 64.0 m-85 -120.54 151.89 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 t -117.9 103.19 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.81 178.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.49 134.81 40.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -49.87 -22.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -70.29 -42.67 71.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -20.68 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.0 mt -89.15 150.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.9 138.13 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.0 tm-20 -37.84 149.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.569 HG22 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.77 150.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -107.2 84.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 90' ' ' SER . 5.7 mm -79.09 -40.9 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.43 -5.52 37.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.45 12.19 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.6 mt -87.89 156.08 52.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.09 29.72 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 -22.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -59.39 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' LYS . 9.3 mt-10 -53.65 -46.97 70.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.53 -50.03 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 t -53.04 -20.31 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -113.53 -88.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.15 117.43 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.01 -38.64 31.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' GLN . 81.4 mt -73.3 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -36.58 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -63.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -40.19 -49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -60.98 -47.28 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.404 ' O ' ' OG1' ' A' ' 95' ' ' THR . 11.8 mt -49.92 -42.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.388 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 32' ' ' LEU . 72.6 t80 -70.83 -13.06 61.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.609 1.193 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.7 mt -92.9 -10.83 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.64 -50.25 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 31.0 p -79.67 -15.93 56.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 3.1 mmm180 41.07 48.55 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -163.53 109.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.31 163.04 15.55 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.97 155.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.69 -26.58 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.98 -36.69 72.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m0 -75.99 -60.87 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.88 60.22 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.7 mtt -86.4 161.56 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -177.63 37.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -96.06 -29.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.7 p -53.68 -26.69 23.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.68 -24.71 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.08 -21.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 7.1 mt -123.43 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 110' ' ' LEU . 7.0 pt-20 47.52 -170.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.38 174.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.53 -145.13 9.13 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.2 33.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.2 -60.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m 51.61 80.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.72 -57.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 0.0 109.915 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.41 114.75 22.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 82.77 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -136.6 92.01 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -156.84 124.74 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.77 126.46 2.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.45 113.37 9.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -147.3 98.18 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.56 130.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -103.21 -38.43 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -77.18 -34.96 56.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.98 147.75 32.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.58 3.5 86.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.74 166.62 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.601 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 10.1 t -73.25 134.92 28.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 m -139.92 158.32 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.611 ' OG ' ' CE3' ' A' ' 28' ' ' TRP . 43.8 t -99.09 134.79 41.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.586 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 44.7 t -109.05 124.84 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 t -82.33 124.22 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 137.59 53.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.1 62.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -78.52 -25.66 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.63 94.34 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -44.73 -40.28 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -57.34 -68.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -46.2 131.1 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.165 . . . . 0.0 110.358 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CE3' ' OG ' ' A' ' 18' ' ' SER . 42.2 p-90 -143.89 144.66 31.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.586 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -130.28 145.59 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 147.56 34.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -160.12 138.77 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 36.1 tp -94.91 104.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.0 t -53.49 148.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -160.14 -176.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 t -123.77 129.53 24.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -52.87 62.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 -61.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 108.348 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -48.68 147.66 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -140.85 -54.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -50.46 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.19 61.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -52.34 143.79 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.1 t -114.62 132.26 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 166.99 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.15 64.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.71 24.39 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.41 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -132.6 161.75 33.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.12 147.64 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 tp -85.1 123.68 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.3 m -117.67 160.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HD3' ' CE3' ' A' ' 102' ' ' TRP . 11.1 ttt180 -112.48 110.11 20.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -62.53 154.33 29.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 35.6 m-85 -111.9 9.28 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.44 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.0 mt -96.65 -64.78 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.56 -10.51 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.422 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 9.6 p 67.98 50.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.6 -179.27 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.38 117.07 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.468 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 92.0 m-85 -119.08 156.22 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.72 99.47 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.29 178.74 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.08 134.57 43.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -54.11 -20.56 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.28 -18.69 52.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mt -85.94 145.62 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.74 136.16 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LYS . 13.6 mt-10 -38.75 146.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.56 147.98 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.1 m-20 -105.95 81.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 5.0 mm -76.22 -37.8 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' ' HE3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -73.75 -2.52 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 24.0 t30 -103.13 -10.13 19.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.46 153.39 90.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.01 33.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -22.7 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -48.25 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 57.8 mm-40 -66.22 -43.94 85.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 45.8 mt -64.42 -59.66 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -44.31 -26.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 80' ' ' LEU . 47.4 p -103.05 -88.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.9 117.04 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.44 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -54.71 -42.45 77.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD22 ' CH2' ' A' ' 28' ' ' TRP . 20.3 mt -71.28 -51.32 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.87 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.77 -45.79 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -57.01 -48.58 78.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.493 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -64.42 -46.59 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.9 mt -47.55 -49.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 27.1 t80 -66.71 -13.14 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.1 mt -93.04 -9.97 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.87 -50.61 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.5 p -78.89 -28.3 44.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 10.4 mmm180 56.49 40.68 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.28 101.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.24 163.13 15.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.0 Cg_endo -75.07 150.65 38.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.01 -24.79 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.187 . . . . 0.0 109.35 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.84 -16.29 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.512 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 8.9 m0 -102.48 -59.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 58.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.9 mmt -50.47 -179.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.68 -46.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 109' ' ' ILE . 1.9 tt -88.49 -36.92 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.53 -26.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.32 -29.84 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.249 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' ILE . 50.3 mt -66.37 -16.52 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mt -79.75 -61.23 2.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 134.72 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.9 111.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.04 157.28 27.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.22 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.547 1.814 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.99 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -56.24 164.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -152.35 97.01 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -61.5 154.99 23.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 -62.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -41.64 157.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 0.743 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m 66.46 104.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.64 153.8 9.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -106.29 161.84 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -117.29 155.05 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.9 158.09 40.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.13 -38.54 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -89.8 -36.43 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -81.37 149.03 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HD13 ' A' ' 13' ' ' LEU . . . 77.45 1.54 76.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.57 170.0 10.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.434 HG23 ' CE2' ' A' ' 54' ' ' PHE . 88.9 t -74.02 146.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 67' ' ' ILE . 8.2 m -150.24 163.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.02 116.38 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.555 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 55.0 t -90.87 119.57 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.6 t -83.61 125.98 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -68.57 125.1 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.37 64.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.3 m -77.02 -7.84 56.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -142.2 80.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.33 -20.33 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 27' ' ' GLU . 1.7 m -82.43 -80.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' N ' HG21 ' A' ' 26' ' ' THR . 1.7 mm-40 -39.29 133.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.286 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CH2' HD23 ' A' ' 86' ' ' LEU . 45.5 p-90 -143.8 141.28 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.2 p90 -126.11 148.66 64.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.03 149.27 36.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -162.54 138.93 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 17.0 tp -91.29 111.13 22.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 83.3 t -64.0 141.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 18.4 pt -159.13 -175.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -124.09 147.64 55.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.573 1.828 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -60.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.38 -63.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.73 118.92 2.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -103.03 -58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.87 -49.26 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.1 mm -40.37 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -84.28 114.83 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.73 128.67 66.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -64.24 -170.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -87.52 -39.13 15.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 24.91 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -125.32 153.53 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.83 149.62 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' ILE . 31.0 tp -85.6 113.77 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.77 156.22 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 4.2 ttt180 -115.33 110.06 18.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -62.14 153.22 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 43.3 m-85 -109.79 11.74 24.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 90.0 mt -96.82 -64.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -101.54 -7.95 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 p 64.6 50.0 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -115.42 174.32 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 93.2 m-85 -106.01 127.09 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.468 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 70.9 m-85 -125.17 157.65 35.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.402 ' N ' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.35 98.62 6.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.66 178.65 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.85 141.1 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.83 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -19.46 58.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.49 -16.94 23.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 17' ' ' VAL . 18.9 mt -88.66 135.17 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.203 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -150.51 139.14 20.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -38.54 153.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 72' ' ' ILE . 1.4 p -146.49 171.26 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.411 ' CD1' HG22 ' A' ' 70' ' ' VAL . 4.5 mm -66.54 -43.97 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 93' ' ' LEU . 7.6 mt -73.91 -3.81 31.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -112.66 12.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.07 157.98 47.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.71 22.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -27.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -57.58 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.3 mt-10 -57.72 -50.85 71.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -50.51 -58.0 6.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -49.38 -58.23 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 66.2 p -67.9 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -45.15 116.38 2.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -41.66 -39.9 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD23 ' CH2' ' A' ' 28' ' ' TRP . 90.2 mt -63.44 -69.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -36.18 -59.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -66.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -45.75 -42.46 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -62.04 -47.32 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.929 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' OG1' ' A' ' 95' ' ' THR . 11.8 mt -49.77 -41.2 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 61.6 t80 -71.87 -14.36 61.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 7.2 mt -90.99 -10.27 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.97 -42.69 3.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 43.3 p -85.95 -40.61 15.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 27.0 mmm-85 65.26 38.39 5.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.232 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.95 101.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.12 163.04 14.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 152.46 40.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -22.78 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.04 -15.45 63.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 12.2 m0 -97.72 -56.38 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 103' ' ' LYS . 13.0 tttt 57.42 58.65 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.405 ' CG ' ' HB3' ' A' ' 107' ' ' SER . 9.7 mmt -52.39 -178.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.23 -50.34 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 tt -94.3 -39.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 104' ' ' MET . 8.4 t -55.86 -19.36 11.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.35 -17.21 27.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.9 mt -86.29 -28.49 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.43 -55.32 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 177.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.7 p -140.0 153.4 46.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.94 156.69 23.39 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 159.97 40.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 m 56.2 107.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.0 p 178.79 118.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.012 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -99.13 111.48 23.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.33 91.58 3.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.941 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.19 108.69 3.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -172.07 102.31 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.03 116.05 3.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -170.49 12.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -137.03 64.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 10' ' ' ASP . 3.7 m-80 -128.46 94.05 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 2.6 m-20 61.16 123.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 -83.71 -42.31 16.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 38.7 mt -88.29 -36.66 16.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -75.95 148.44 38.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.24 14.5 66.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -130.52 163.51 26.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 0.715 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.621 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 24.9 t -75.66 144.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 67' ' ' ILE . 19.5 m -144.34 157.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 p -99.84 126.3 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.595 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 51.7 t -98.99 125.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.07 126.29 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 138.64 47.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -32.08 52.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.8 p -80.54 -21.52 41.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.47 86.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -40.37 -48.74 2.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -47.45 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -48.87 125.8 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.414 ' CH2' HG22 ' A' ' 70' ' ' VAL . 39.8 p-90 -143.85 145.18 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -132.75 146.78 62.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.93 152.29 40.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.91 143.64 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 21.8 tp -96.18 114.69 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' HD22 ' A' ' 13' ' ' LEU . 39.0 t -64.5 144.39 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.0 pt -155.72 -173.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -126.39 137.55 30.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 100.28 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p -107.17 -57.79 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 m -70.53 -62.97 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -46.2 167.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.47 -56.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 109.333 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.8 m-20 -50.55 -45.87 57.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.32 90.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.2 m -70.52 116.32 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.06 111.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.41 167.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -66.77 -35.89 81.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.95 19.71 12.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -117.77 163.92 15.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.74 148.18 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.0 119.68 25.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.58 158.19 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 2.5 ttt180 -118.07 108.46 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 t -62.62 154.04 30.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 47.1 m-85 -109.84 14.74 23.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 93.3 mt -98.89 -64.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -105.45 -9.3 17.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t 65.99 54.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 174.2 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 51.7 m-85 -107.62 108.48 19.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 94.2 m-85 -110.62 152.06 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.82 99.48 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.78 178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.78 141.7 34.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -15.48 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -11.97 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -22.84 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.428 ' CG2' HG21 ' A' ' 17' ' ' VAL . 13.9 mt -85.06 137.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -154.93 136.95 14.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 mt-10 -37.43 149.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG22 ' CH2' ' A' ' 28' ' ' TRP . 9.8 p -145.09 157.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -111.67 85.01 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.29 -38.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.42 -1.53 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.59 ' N ' HD21 ' A' ' 74' ' ' ASN . 1.3 m-80 -108.03 6.15 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.2 mt -85.0 155.13 61.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.4 31.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.62 -25.35 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -55.18 29.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 29.5 mm-40 -59.86 -39.62 85.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 47.6 mt -66.28 -55.28 16.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -54.82 -31.21 58.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.95 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.4 p -94.16 -87.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -45.43 117.57 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.25 -45.06 15.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.4 -59.1 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -40.23 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -50.42 3.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 54' ' ' PHE . . . -51.67 -48.9 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -63.16 -44.71 94.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.452 ' CG2' HG21 ' A' ' 95' ' ' THR . 7.4 mt -47.05 -51.86 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 32' ' ' LEU . 85.5 t80 -64.94 -14.07 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.13 -11.48 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.55 -47.68 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.452 HG21 ' CG2' ' A' ' 91' ' ' ILE . 12.3 p -81.67 -10.4 59.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 24.6 mmt180 40.54 43.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.7 p -168.87 121.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -67.18 163.18 48.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.04 151.92 39.95 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -25.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -61.06 -32.68 72.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m95 -76.18 -56.15 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 108.042 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.91 73.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 107' ' ' SER . 5.2 mmt -48.68 178.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.42 -47.03 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 tt -94.77 -34.76 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 104' ' ' MET . 0.7 OUTLIER -48.87 -23.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -33.9 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.83 -22.01 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.5 -58.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.53 136.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.951 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.86 -146.03 7.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.72 4.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' GLY . 9.0 m -157.06 123.95 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.96 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p 44.28 80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -79.23 156.3 28.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.95 -89.14 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 56.0 86.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 179.31 -59.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.83 -104.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt 63.42 93.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -120.8 113.38 20.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.2 161.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -99.78 -36.72 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.05 -35.33 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.383 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.54 147.84 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.33 86.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -119.74 169.29 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG21 ' CE2' ' A' ' 54' ' ' PHE . 32.1 t -73.44 136.82 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 67' ' ' ILE . 18.5 m -137.78 157.37 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.551 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 47.3 p -100.71 128.02 46.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.579 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.5 t -98.57 134.85 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.95 130.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -73.55 122.3 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.85 77.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -82.33 -11.59 58.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -139.26 69.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -43.81 -26.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.5 m -73.94 -78.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' O ' ' OG ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -40.53 132.1 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 110.329 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 35.8 p-90 -144.38 145.16 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.059 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.3 p90 -132.34 148.61 70.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.01 150.86 38.74 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -164.2 139.96 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 15' ' ' LYS . 43.0 tp -91.06 115.32 27.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.54 147.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pt -158.35 -174.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 146.84 61.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 m -107.26 -55.93 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.43 -62.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -50.42 130.54 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.46 -47.12 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.381 1.051 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' THR . 20.2 m-20 -45.7 -53.0 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.67 63.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ASP . 14.8 m -52.35 126.22 18.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.65 131.16 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 177.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -38.29 28.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -94.51 25.25 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -137.82 162.09 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.55 157.72 44.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 tp -88.55 141.91 28.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 m -135.61 166.37 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.62 105.95 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.1 t -62.3 153.74 29.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.798 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 62.2 m-85 -109.03 15.68 23.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 80.2 mt -98.71 -64.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -106.31 -10.94 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 m 69.02 50.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.039 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -110.29 171.47 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.29 115.2 29.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.473 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 95.3 m-85 -115.53 153.75 30.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 99.02 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.077 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.567 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -112.74 178.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.2 134.79 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -50.61 -21.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -71.41 -34.6 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -21.0 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 17' ' ' VAL . 16.5 mt -86.32 137.38 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.35 135.93 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' LYS . 19.8 mt-10 -36.68 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 72' ' ' ILE . 8.4 p -143.99 144.1 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.9 m-20 -102.68 90.39 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.478 HG23 ' CB ' ' A' ' 90' ' ' SER . 5.7 mm -81.54 -43.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.64 -6.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.365 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 46.4 t30 -103.53 5.43 36.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 mt -82.57 153.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 144.16 30.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -46.38 -27.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -49.14 -42.12 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 82' ' ' THR . 38.5 mt -65.85 -62.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -45.12 -26.98 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 74.2 p -100.2 -89.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -43.88 120.16 3.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.8 -42.66 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.24 -67.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 0.789 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -43.89 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.17 -38.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -75.12 -47.71 27.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -57.26 -48.33 79.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.71 -50.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CD1' HG13 ' A' ' 98' ' ' VAL . 3.2 t80 -65.71 -13.55 59.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.06 -10.14 40.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.76 -44.19 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.0 p -85.98 -9.23 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 12.8 mmt85 37.85 34.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.13 98.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.14 163.21 14.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -74.98 156.01 43.03 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -17.92 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.44 -14.84 61.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.798 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 12.9 m0 -105.31 -61.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? 57.74 77.39 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -97.01 -168.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.968 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 104' ' ' MET . 3.0 t70 81.14 2.94 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -95.76 -29.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -55.22 -18.87 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.12 -31.16 25.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.91 -27.56 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.58 -74.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 77.99 153.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t -131.59 -59.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.27 119.5 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.33 5.38 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m 56.48 105.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.79 130.04 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -64.38 149.43 48.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 66.21 137.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.25 -173.57 33.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.68 161.34 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -47.4 167.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.602 1.188 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 -154.68 10.87 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -136.26 -67.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.756 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 71.55 89.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.58 161.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.89 -36.31 8.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.29 -40.77 12.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.41 148.74 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.88 1.83 79.91 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.36 166.5 13.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 96.7 t -73.53 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.9 164.92 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 1.7 p -101.73 123.99 46.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 28.0 t -99.25 127.54 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG21 ' CE ' ' A' ' 68' ' ' LYS . 10.7 t -83.96 126.07 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 145.19 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.77 -23.22 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.0 m -90.94 -11.97 37.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.59 86.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -39.33 -53.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -45.48 -67.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -47.71 130.05 14.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 70' ' ' VAL . 42.6 p-90 -142.35 141.48 32.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.615 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -124.07 147.4 54.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 149.66 37.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -163.12 139.81 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 15.9 tp -91.4 116.2 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 73.5 t -67.62 142.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 18.2 pt -157.81 -176.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -123.35 147.75 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.76 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -54.19 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -62.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.16 174.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -148.91 -54.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -54.26 -38.38 65.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.1 mm -51.13 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.5 m -77.33 111.06 12.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -108.32 135.33 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.83 171.58 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -78.16 -23.65 47.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.37 23.7 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -142.81 162.4 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 153.55 46.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 tp -85.1 129.76 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.2 m -125.58 154.61 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tpt180 -113.84 111.36 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -62.74 153.99 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 37.3 m-85 -110.24 13.91 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.1 mt -100.54 -64.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -105.88 -12.25 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 0.7 OUTLIER 69.6 50.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -107.71 146.8 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 29.9 m-85 -84.04 103.08 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 27.5 m-85 -109.18 148.02 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.87 99.8 7.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.65 178.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -94.25 133.43 37.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -54.29 -19.15 4.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 8.1 ptpt -70.23 -30.84 68.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 63' ' ' ALA . 2.3 p30 -82.49 -13.88 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mt -87.51 147.42 5.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' CE ' HG21 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -159.34 146.73 17.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.18 146.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.577 HG23 ' CH2' ' A' ' 28' ' ' TRP . 2.6 p -146.47 143.79 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.212 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -112.16 87.59 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' CD1' HG12 ' A' ' 70' ' ' VAL . 4.1 mm -77.96 -41.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -70.54 -5.53 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 2.0 t30 -109.68 12.63 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.6 mt -87.52 158.05 51.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.2 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.47 36.74 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -17.54 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -54.43 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.7 mt-10 -59.57 -59.57 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 mt -44.56 -57.48 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -47.3 -50.76 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 80.4 p -78.97 -85.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' CB ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -40.52 114.82 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.61 57.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 83' ' ' LYS . 97.3 mt -59.78 -64.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.71 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -39.69 -49.83 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -59.41 -46.5 88.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.24 -52.42 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 82.8 t80 -64.13 -14.31 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -90.91 -9.88 44.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.03 -46.13 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -82.94 -36.84 24.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm-85 61.51 46.93 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.34 102.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.577 HG13 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -61.94 163.21 13.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.06 150.64 38.19 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -22.03 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.68 -21.89 66.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 98' ' ' VAL . 14.0 m0 -89.62 -60.36 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.22 69.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -163.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.55 -36.08 8.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -38.03 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 p -48.99 -24.31 1.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -91.3 -31.62 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.15 -18.43 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -61.97 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.64 88.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.4 p -116.36 76.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.938 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.67 162.96 35.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.68 158.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 1.049 . . . . 0.0 110.025 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 p 56.1 165.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -130.08 158.6 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -172.52 150.47 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.77 -115.06 0.47 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 m -75.88 174.14 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 0.743 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -131.99 -73.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 -172.87 19.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -137.03 140.04 41.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 0.822 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.63 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.432 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 176.22 153.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.7 pt-20 -82.51 -46.91 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 34.9 mt -83.88 -38.35 21.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 10' ' ' ASP . 1.0 OUTLIER -75.16 146.53 41.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.64 14.77 72.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -130.47 158.71 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.602 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 30.0 t -78.91 144.54 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 33' ' ' VAL . 28.3 m -140.26 168.14 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.472 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p -98.43 114.64 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 80.4 t -92.2 112.57 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 ' CE ' ' A' ' 68' ' ' LYS . 21.7 t -77.96 119.6 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.207 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.14 125.85 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.84 69.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 m -81.01 -15.4 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -161.06 89.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -40.29 -57.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -42.89 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -46.72 128.46 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' HG23 ' A' ' 70' ' ' VAL . 39.5 p-90 -143.6 145.17 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.053 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.575 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -132.02 146.0 59.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.98 144.89 30.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -156.31 141.76 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 14.1 tp -91.15 121.26 32.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 17' ' ' VAL . 49.8 t -72.04 142.84 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 pt -154.49 -173.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 p -126.83 145.47 53.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 95.64 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -105.36 -60.56 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.936 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 t -78.33 -57.05 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 40' ' ' ASP . 6.9 t30 -55.0 163.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 15.3 m-20 -157.08 -49.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -46.54 -59.03 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 mt -69.41 62.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ASP . 13.2 t -52.25 147.25 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.9 t -113.28 125.82 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -63.64 173.01 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.23 69.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.28 25.09 7.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -134.85 162.61 31.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.73 144.65 27.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 tp -85.38 121.98 28.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.23 170.69 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 8.3 ttt85 -128.3 109.59 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.96 153.26 29.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 42.9 m-85 -109.15 12.22 25.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.8 mt -96.01 -62.41 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -103.19 -10.98 18.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 5.4 m 68.6 48.5 0.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -113.65 159.11 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 89.7 m-85 -92.49 131.36 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -137.71 155.96 48.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 t -118.01 107.98 14.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -114.3 178.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.87 134.83 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -25.46 6.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.61 -35.8 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -21.98 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.393 1.058 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 30.2 mt -84.75 148.8 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -158.5 27.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.375 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 8.8 tm-20 61.96 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.576 HG23 ' CH2' ' A' ' 28' ' ' TRP . 8.5 p -145.28 148.38 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -109.88 87.12 2.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.618 1.199 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.477 ' CD1' HG13 ' A' ' 70' ' ' VAL . 4.2 mm -74.73 -42.41 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.4 -7.44 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -105.24 12.11 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.65 155.38 42.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.17 25.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -46.27 -29.08 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -54.88 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.943 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.3 mt-10 -59.95 -57.02 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.7 mt -44.54 -57.71 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -44.34 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 82.4 p -85.92 -88.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.429 1.081 . . . . 0.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -39.97 114.37 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.443 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.7 -40.61 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 83' ' ' LYS . 95.1 mt -66.23 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -38.28 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.06 -49.69 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -57.23 -49.48 75.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.493 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -59.07 -46.95 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 mt -46.85 -51.15 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 32' ' ' LEU . 56.8 t80 -65.8 -15.09 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mt -89.56 -10.74 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.08 -43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.9 p -83.99 -37.71 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 20.3 mmm180 63.41 46.12 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.4 p -164.54 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.55 163.26 15.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.0 147.68 34.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -25.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.77 -34.05 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 12.5 m0 -78.48 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? 67.7 64.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.5 mmt -73.06 -80.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.81 32.13 6.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 tt -81.55 -25.35 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.6 m -62.03 -18.59 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -88.3 -24.75 23.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.63 -25.27 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -116.7 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 60.34 78.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.3 m 63.09 123.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.38 -155.42 22.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.57 5.12 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.423 1.749 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.7 t -133.17 142.32 48.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.6 t -90.84 148.58 22.41 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 0.0 110.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.52 135.46 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 p -167.88 166.4 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.3 -79.29 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.6 94.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -167.87 163.63 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.15 63.4 4.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -138.1 -61.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -49.64 151.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.28 164.25 20.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.08 -34.08 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -92.14 -36.75 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.08 148.56 27.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.83 2.17 75.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.0 161.89 20.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 0.721 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.631 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 54.5 t -73.49 127.19 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.2 m -127.8 157.94 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 p -99.47 125.67 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 5.3 t -96.7 132.45 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.35 129.64 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -73.31 124.02 24.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.2 -51.6 66.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.1 m -76.52 -12.64 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -136.81 93.81 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.51 -11.22 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -91.99 -71.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' A' ' 21' ' ' SER . 11.8 mm-40 -46.34 132.66 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.556 ' CH2' HG22 ' A' ' 70' ' ' VAL . 34.4 p-90 -144.12 145.64 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.987 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -130.91 148.37 69.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 146.02 32.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -158.76 135.73 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.7 tp -91.26 109.67 20.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.6 t -58.25 138.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.87 -173.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -129.03 146.52 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 95.88 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.44 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -55.44 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -57.78 133.99 55.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.4 -50.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.76 -50.2 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 3.0 mt -70.07 62.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASP . 10.3 t -52.35 143.33 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.32 131.06 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.16 -174.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -83.68 -38.32 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 25.27 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -134.63 164.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.8 150.51 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.3 tp -84.94 129.33 34.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 m -127.56 157.24 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 t -62.19 152.78 32.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 34.2 m-85 -108.3 16.93 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -99.96 -65.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -106.46 -9.12 16.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 5.9 p 67.89 47.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -108.64 171.25 7.53 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -95.57 127.95 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 81.2 m-85 -129.19 148.55 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.41 101.65 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.07 178.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.05 133.24 44.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -18.7 6.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.63 -15.03 59.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.62 -19.56 18.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.0 mt -85.12 150.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -162.96 137.04 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' LYS . 9.2 tm-20 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.6 127.52 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 74' ' ' ASN . 21.4 p-10 -93.02 87.6 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 90' ' ' SER . 4.7 mm -72.51 -40.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.26 -9.75 35.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB2' ' A' ' 71' ' ' ASP . 8.2 t30 -93.49 -3.31 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.5 mt -82.04 153.81 69.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.51 43.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.1 OUTLIER -58.03 -16.75 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 45.8 mm-40 -53.39 -45.73 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.24 -54.89 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 30.4 t -49.47 -22.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 69.4 p -104.75 -85.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -39.79 118.15 1.29 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.33 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.92 -45.5 96.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' GLN . 54.5 mt -66.51 -56.29 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.364 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -36.92 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -42.9 -53.81 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.07 -56.61 10.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -56.7 -49.07 76.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.4 mt -47.59 -49.9 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.476 ' CD1' HG12 ' A' ' 98' ' ' VAL . 41.2 t80 -66.49 -14.09 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -91.32 -9.61 44.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.47 -44.88 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.72 -32.07 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 5.2 mmm180 58.27 38.83 26.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.06 98.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -61.9 163.23 13.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -75.03 149.81 37.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -24.96 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.62 -16.59 26.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.429 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.1 m0 -102.66 -54.51 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 59.76 57.69 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.61 31.77 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.8 tt -75.62 -15.8 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.3 m -60.17 -27.92 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -97.88 -14.4 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.01 -18.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -56.61 10.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.36 77.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 64.7 p -104.62 -34.08 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.91 -120.67 20.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.15 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 t -91.22 -58.62 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.42 140.8 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.46 153.8 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -160.44 125.24 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.02 88.88 0.28 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.55 124.5 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 66.6 158.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.46 130.01 2.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.4 mt -124.19 115.85 21.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -67.94 161.74 25.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -149.17 170.47 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.05 -39.56 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -90.34 -40.4 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.56 148.68 33.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.94 -1.35 84.73 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' N ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.56 171.49 8.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.577 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 38.8 t -73.48 138.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG22 ' CG2' ' A' ' 67' ' ' ILE . 18.9 m -140.48 157.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 29.8 p -100.57 127.77 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.569 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 29.8 t -99.68 121.28 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 25' ' ' ARG . 14.4 t -82.78 131.36 33.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -64.39 136.15 56.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.01 99.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.4 m -102.6 26.04 8.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' SER . 2.0 mt-10 -173.12 110.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 mpt_? -81.42 -15.3 55.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -82.81 -58.4 2.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.145 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.76 117.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CH2' HG22 ' A' ' 70' ' ' VAL . 50.4 p-90 -135.85 154.24 51.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -136.39 142.03 38.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.95 143.24 28.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -157.28 144.92 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 15' ' ' LYS . 36.6 tp -94.58 114.46 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 34' ' ' ILE . 75.8 t -66.86 146.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' VAL . 2.6 pt -158.73 -172.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 p -126.48 131.67 24.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 70.19 5.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -57.48 2.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.061 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -30.54 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -90.38 162.46 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -141.4 -53.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.7 m-20 -50.72 -37.67 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mm -56.84 88.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 21.9 m -77.62 104.77 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.65 139.83 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -73.92 169.86 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.62 -2.45 42.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -122.27 21.55 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.7 164.79 27.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.63 152.4 37.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 108.209 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -88.3 129.27 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' CG2' ' OH ' ' A' ' 29' ' ' TYR . 2.7 m -128.48 163.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 4.7 mtm180 -119.71 108.84 14.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -63.74 153.89 34.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.727 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 52.0 m-85 -109.36 10.94 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 97.6 mt -95.47 -63.94 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -102.09 -7.51 22.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.1 m 64.71 52.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 mmtt -115.59 173.8 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.6 m-85 -108.27 105.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 97.7 m-85 -110.52 148.6 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -117.02 105.99 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.02 178.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -88.03 138.16 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -58.99 -14.94 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 63' ' ' ALA . 3.0 p30 -81.67 -17.19 48.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.428 ' CG2' HG22 ' A' ' 17' ' ' VAL . 25.7 mt -87.21 131.36 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.54 138.02 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LYS . 10.4 tm-20 -37.01 141.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.579 HG22 ' CH2' ' A' ' 28' ' ' TRP . 8.1 p -142.98 133.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.2 m-20 -92.58 88.86 6.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' ILE . 5.3 mm -79.49 -46.33 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -9.3 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 55.5 t30 -96.88 3.77 51.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.9 mt -85.94 153.92 57.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.9 30.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -45.87 -26.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -60.23 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.4 mm-40 -53.02 -48.66 67.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.47 -57.42 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -46.45 -43.59 16.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 81.4 p -82.94 -83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.463 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -47.83 121.41 8.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.86 -52.7 11.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 83' ' ' LYS . 70.1 mt -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -53.73 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -39.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . . . -64.1 -50.34 68.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -61.73 -45.88 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.0 mt -47.51 -51.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CD1' HG11 ' A' ' 98' ' ' VAL . 11.0 t80 -64.73 -14.71 59.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.594 1.184 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -90.57 -10.62 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.52 -48.58 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.457 ' O ' ' CG1' ' A' ' 97' ' ' VAL . 23.3 p -81.74 -5.99 58.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 23.0 mmt180 37.17 34.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 95' ' ' THR . 4.1 p -146.21 117.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -82.57 163.26 52.75 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.23 42.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 102' ' ' TRP . 4.1 m-20 -47.53 -35.61 9.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -49.84 -23.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 8.9 m0 -99.58 -58.15 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 70.27 80.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.489 ' CE ' ' NH2' ' A' ' 52' ' ' ARG . 77.3 mtp -127.21 -178.02 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t0 178.21 44.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.15 -23.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -10.6 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.49 -13.4 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.2 mt -79.99 -18.16 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -56.25 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.05 127.0 53.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 117.06 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 114' ' ' PRO . . . 161.82 136.12 1.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 113' ' ' GLY . 18.1 Cg_endo -75.0 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -39.34 134.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.1 t -174.7 134.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -121.38 119.03 30.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.104 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -110.45 169.11 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.42 66.49 0.55 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.427 1.08 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 163.48 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.07 150.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.83 134.07 1.59 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -145.38 71.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 0.832 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -128.61 -47.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 169.85 147.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 13.8 pt-20 -86.34 -50.57 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -74.94 -41.11 60.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -70.15 144.4 52.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.9 15.79 79.56 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.14 159.16 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.657 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 43.0 t -73.54 130.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 31' ' ' ALA . 17.2 m -134.07 160.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 83.9 p -98.86 131.97 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.57 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 38.5 t -103.47 125.15 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t -89.84 128.32 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.47 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -71.23 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.87 82.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.1 m -84.16 0.08 50.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -150.39 80.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.227 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -54.69 -18.79 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -81.91 -75.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' O ' ' OG ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -43.32 132.0 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CH2' HD22 ' A' ' 86' ' ' LEU . 38.4 p-90 -144.23 146.79 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 1.4 p90 -133.53 149.46 72.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.63 17.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -145.69 136.87 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 31.9 tp -91.06 110.88 22.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 13' ' ' LEU . 61.9 t -58.21 143.48 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' VAL . 4.2 pt -156.85 178.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -121.04 145.68 42.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 99.31 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.63 -59.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.079 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -85.6 -39.66 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.271 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -70.06 113.81 7.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -110.45 -55.45 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.95 -55.17 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.25 61.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.6 t -52.22 145.91 10.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.25 127.7 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 164.25 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.4 75.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.4 25.49 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.62 162.29 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.92 154.71 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp -87.12 136.76 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -133.69 158.82 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -119.22 105.56 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' SER . 46.8 t -63.84 134.09 54.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.657 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 56.8 m-85 -88.47 20.45 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.1 mt -100.11 -64.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -102.39 -7.09 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' SER . 14.8 t 65.04 42.9 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.94 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -108.09 -171.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 73.6 m-85 -117.13 128.6 55.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 73.1 m-85 -127.47 156.55 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.19 101.28 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.75 178.59 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.46 138.11 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -21.64 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -74.93 -26.62 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -20.96 31.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.404 ' CG2' HG23 ' A' ' 17' ' ' VAL . 12.6 mt -86.19 143.33 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -159.81 139.79 11.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -37.27 147.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG23 ' CH2' ' A' ' 28' ' ' TRP . 4.2 p -146.53 138.91 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.446 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -101.46 87.28 3.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.56 -39.62 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.047 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.49 -4.18 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -109.6 12.57 24.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 86' ' ' LEU . 23.9 mt -89.08 156.54 49.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.55 35.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -20.47 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -62.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.9 mt-10 -52.52 -58.84 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.63 -54.62 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -49.43 -36.16 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' LYS . 70.0 p -94.7 -85.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -36.84 112.9 0.58 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -29.63 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -49.33 40.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.55 HD22 ' CH2' ' A' ' 28' ' ' TRP . 80.6 mt -55.82 -60.8 2.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -36.58 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -41.65 -58.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.74 -50.15 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -59.31 -46.88 87.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -48.82 -47.41 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CD1' HG13 ' A' ' 98' ' ' VAL . 81.5 t80 -66.8 -13.23 61.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.8 mt -93.67 -9.35 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.54 -46.61 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -83.0 -23.57 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 19.6 mmm180 49.95 41.5 23.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -163.08 105.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.563 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.1 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.98 155.02 42.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -47.47 -39.81 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -48.51 -26.1 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 10.7 m0 -92.14 -60.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 60.52 62.92 1.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.409 ' HE3' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -55.66 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.23 -55.12 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.1 tt -77.35 -23.32 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 t -56.97 -40.6 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -80.14 -9.94 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 83.1 mt -86.82 -19.39 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.39 -61.18 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 61.71 160.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 m 61.88 121.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.09 -155.64 13.1 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.85 4.46 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m 66.47 97.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.75 -87.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.585 1.178 . . . . 0.0 111.026 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 64.98 121.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -164.25 140.36 6.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.19 -176.02 37.61 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -169.04 109.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.057 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.91 168.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.1 -177.02 14.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt 71.74 71.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.227 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -147.45 159.14 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -77.58 157.84 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.21 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD23 ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -70.16 -47.31 62.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -62.49 144.61 55.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.56 65.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 16' ' ' VAL . 1.1 pttt -130.54 155.44 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.635 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 10.5 t -73.37 135.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' CG1' HD23 ' A' ' 12' ' ' LEU . 14.4 m -137.3 159.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.4 p -102.06 128.06 48.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.541 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 32.5 t -99.57 130.62 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -91.99 129.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.4 m -75.21 121.75 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -22.56 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -89.69 -29.16 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.6 pt-20 -145.38 77.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' GLU . 18.6 mmt85 -36.62 -32.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . 1.1 m -60.48 -65.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.69 128.85 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.6 p-90 -140.88 143.94 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -130.56 145.51 57.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.07 149.48 36.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -162.36 139.66 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 32.9 tp -94.27 115.6 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 13' ' ' LEU . 78.9 t -62.39 151.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 11.8 pt -160.7 -177.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.1 t -119.71 136.86 25.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.55 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -97.02 -56.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 m -79.68 -56.03 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.22 139.58 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.49 -61.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -45.18 -54.05 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.93 62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -52.21 133.73 33.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.59 118.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 157.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -62.83 -38.84 92.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -92.38 23.01 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.59 154.43 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.54 146.96 46.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 108.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 tp -84.98 114.2 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 m -111.33 153.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NH1' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -111.55 112.23 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -62.67 152.88 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 44.7 m-85 -108.53 16.45 22.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.7 mt -99.85 -64.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -105.93 -12.16 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t 71.36 53.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -114.3 163.56 15.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.651 ' CE2' ' NH1' ' A' ' 52' ' ' ARG . 66.8 m-85 -94.69 118.47 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 85.6 m-85 -117.5 151.97 36.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.85 100.29 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.84 178.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.86 136.39 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -55.69 -18.67 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.28 -22.77 14.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 150.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -161.01 137.12 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.36 144.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 72' ' ' ILE . 2.6 p -146.52 143.79 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 25.0 m-20 -104.3 83.93 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 70' ' ' VAL . 4.0 mm -72.64 -39.26 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' CD2' ' HE3' ' A' ' 94' ' ' LYS . 1.1 mt -69.65 -6.84 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 18.2 t30 -99.64 -3.37 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 mt -75.71 154.32 85.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.42 -29.1 2.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.32 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.6 mt-10 -46.06 -52.79 11.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' CD2' ' OG ' ' A' ' 90' ' ' SER . 47.2 mt -53.16 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -44.21 -58.61 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 55.0 p -66.43 -83.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.507 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -49.93 116.02 5.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.449 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -45.05 -34.52 4.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD21 ' CH2' ' A' ' 28' ' ' TRP . 25.3 mt -77.99 -53.27 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.15 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.66 -55.62 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.83 -49.9 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.1 -49.46 75.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.956 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.29 -42.31 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CD1' HG12 ' A' ' 98' ' ' VAL . 86.3 t80 -71.08 -13.39 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.0 mt -93.36 -9.97 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.68 -53.77 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 96' ' ' ARG . 16.5 p -78.28 -11.85 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm180 37.25 53.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.3 p -168.63 108.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.26 163.2 14.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 152.97 41.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -50.79 -27.59 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.64 -18.99 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m0 -96.21 -61.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 107.955 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 65.63 51.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.1 mmt -69.56 160.03 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -171.33 48.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.3 tt -101.89 -25.52 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -62.45 -15.96 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.89 -19.03 16.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.9 mt -71.64 -29.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.76 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 40.46 73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.68 166.17 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 153.23 29.29 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.9 5.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.9 t -145.65 140.48 27.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.025 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -76.98 131.32 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.48 1.112 . . . . 0.0 110.931 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.2 83.92 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.76 91.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.36 161.05 31.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.96 -58.25 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 0.83 . . . . 0.0 109.941 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.71 171.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 110.16 2.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -103.77 -29.5 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' ASP . 22.5 m-20 -106.14 99.13 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 1.9 m-20 61.5 124.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.5 pt-20 -82.79 -52.03 7.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 12.1 mt -75.47 -51.83 12.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -49.96 141.9 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.74 23.32 68.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.15 163.65 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 19.1 t -84.89 121.94 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG22 ' CG2' ' A' ' 67' ' ' ILE . 15.0 m -124.16 168.3 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.464 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 78.9 p -103.47 130.99 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 41.0 t -101.75 114.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.99 130.83 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 t -75.91 134.31 40.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.92 60.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.5 p -99.18 -27.2 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.7 tp10 -144.98 81.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.3 mtt180 -37.58 -44.2 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -53.22 -64.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -52.38 124.34 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.464 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 42.3 p-90 -143.83 144.71 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 1.1 p90 -132.37 147.43 65.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -75.0 138.1 22.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.561 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -147.82 136.02 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 17.0 tp -91.22 112.61 24.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.94 149.96 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.7 pt -159.12 -179.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -123.7 137.78 29.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 67.32 5.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.451 1.763 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -91.87 -59.74 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.09 148.9 45.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -53.79 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 m-20 -53.99 -34.48 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.15 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m -83.41 108.27 16.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.71 127.38 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -169.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -89.11 -41.97 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.32 25.47 3.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -126.61 164.49 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.72 149.07 30.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' ILE . 62.8 tp -86.7 128.39 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 m -126.47 174.2 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -132.62 103.53 6.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -62.14 136.83 58.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 70.9 m-85 -89.6 21.81 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.425 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 78.9 mt -100.51 -63.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 56.4 t0 -102.95 -20.15 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.409 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 3.6 p 78.74 39.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -106.01 179.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.552 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 68.2 m-85 -105.69 136.53 45.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 70.0 m-85 -139.81 150.58 44.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 t -117.64 105.13 11.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -114.52 178.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.59 136.22 39.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -56.74 -17.9 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -14.12 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.82 -12.36 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 ' CG2' HG22 ' A' ' 17' ' ' VAL . 8.3 mt -96.73 144.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 144.06 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 147.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -147.04 147.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -112.52 86.52 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 72' ' ' ILE . 4.5 mm -77.84 -41.44 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.48 -6.73 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -103.3 0.74 31.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.1 mt -80.71 154.32 73.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.165 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.26 31.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -52.47 -20.43 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -48.2 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mm-40 -67.68 -46.21 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.14 -54.75 28.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 45.1 t -48.13 -23.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 81.7 p -106.23 -85.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.21 122.22 1.3 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.425 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -48.72 -53.95 15.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD22 ' CH2' ' A' ' 28' ' ' TRP . 58.1 mt -56.36 -56.9 15.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -36.03 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -61.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.15 -49.52 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.42 -48.74 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.4 mt -48.2 -46.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CD1' HG11 ' A' ' 98' ' ' VAL . 82.2 t80 -68.84 -14.37 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mt -91.5 -9.91 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.39 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.065 . . . . 0.0 109.244 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.7 p -84.55 -37.09 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 63.59 37.53 10.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.1 p -155.12 101.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.56 HG11 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.01 163.15 14.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -74.99 150.02 37.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.03 -28.14 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.47 -26.69 43.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 8.5 m0 -88.51 -61.19 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.37 68.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mmt -56.4 -179.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.1 -51.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.5 tt -84.16 -36.04 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -53.27 -21.96 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.75 -24.87 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.85 -17.79 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.0 -56.77 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 57.08 168.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -154.84 170.14 22.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.23 106.75 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 172.62 15.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.81 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -75.75 167.75 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.942 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 t -64.01 -56.14 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.54 149.15 14.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.92 142.06 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.86 -155.52 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.34 98.76 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -43.84 137.78 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.69 82.87 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.58 127.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.02 -65.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 13' ' ' LEU . 5.6 p-10 178.0 115.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -88.89 -45.72 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 39.3 mt -85.43 -51.03 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' CB ' ' HB2' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -47.95 152.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.11 21.6 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -134.95 149.66 50.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.717 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.577 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 51.4 t -73.18 134.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG21 ' CG2' ' A' ' 67' ' ' ILE . 15.9 m -132.95 162.38 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 p -102.59 122.64 44.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.56 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 8.7 t -93.93 127.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -92.11 125.17 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 7.4 t -73.94 127.49 33.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.01 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -76.72 -2.17 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.0 OUTLIER -145.14 72.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -50.06 -23.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -82.66 -69.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.34 132.39 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -143.87 146.19 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -128.71 146.79 61.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.062 . . . . 0.0 110.989 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.97 144.09 29.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.39 138.06 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 34.2 tp -91.41 126.41 36.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 79.0 t -71.27 140.71 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 21.1 pt -157.37 -178.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -122.83 144.9 43.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.53 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -55.29 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -71.9 175.03 6.17 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -60.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.4 m-20 -56.25 -40.44 74.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.46 82.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -80.39 120.1 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -99.68 146.02 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -74.17 -170.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -21.02 17.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -93.08 -20.13 20.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -103.86 163.42 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.26 151.59 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.345 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 tp -85.86 121.56 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -116.56 160.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -115.66 111.85 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 t -62.25 153.78 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 28.4 m-85 -111.99 9.43 20.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 92.8 mt -94.79 -64.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.0 -12.75 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p 72.26 50.34 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -107.55 172.95 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -104.53 107.96 19.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 90.6 m-85 -109.47 152.81 24.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.68 99.53 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.565 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.33 178.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.79 134.86 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -54.27 -19.69 5.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -20.19 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.22 -17.46 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.412 ' CG2' HG21 ' A' ' 17' ' ' VAL . 7.9 mt -86.85 147.07 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -160.24 139.84 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.5 mt-10 -38.07 144.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.62 148.06 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.449 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -111.91 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.3 mm -76.59 -41.14 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt -71.85 -6.33 40.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -104.08 8.87 36.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.93 156.04 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.1 Cg_endo -75.09 135.3 18.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 76' ' ' PRO . 0.2 OUTLIER -56.52 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 55.4 mm-40 -55.9 -48.76 75.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.56 -54.34 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -51.72 -45.82 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 72.0 p -81.7 -85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -43.58 118.5 2.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.73 -43.39 6.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.99 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.205 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -38.3 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -41.72 -59.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.86 -49.66 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -61.12 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.93 -50.18 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.447 ' CD1' HG11 ' A' ' 98' ' ' VAL . 75.7 t80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.8 mt -90.97 -11.01 40.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.7 -41.71 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 15.0 mmm180 61.58 36.51 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -153.03 106.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.569 HG13 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.38 163.3 14.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 153.88 41.98 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -44.82 -45.99 10.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -42.77 -28.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CE3' HG13 ' A' ' 98' ' ' VAL . 10.3 m0 -92.32 -60.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.993 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt 58.64 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.435 ' CE ' ' NH2' ' A' ' 52' ' ' ARG . 2.5 mmt -84.92 163.76 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 177.22 52.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -23.73 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.34 -13.96 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.0 mt -79.39 -13.74 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.234 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mt -110.82 -65.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.89 -66.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -172.52 75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 168.79 157.81 11.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.593 1.183 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.07 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.5 t -128.92 89.41 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.1 m 63.11 91.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.99 79.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -133.62 118.41 18.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.117 . . . . 0.0 110.051 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.77 -119.39 2.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m 61.96 101.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -102.66 170.98 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.8 -79.23 0.51 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.53 104.63 6.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.73 165.54 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.61 162.71 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 -103.01 -46.97 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.4 mt -84.34 -42.95 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.85 149.55 34.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' HD11 ' A' ' 13' ' ' LEU . . . 78.4 1.4 81.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.39 168.9 11.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.561 HG21 ' CE2' ' A' ' 54' ' ' PHE . 72.7 t -74.08 139.66 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG22 ' CG2' ' A' ' 67' ' ' ILE . 12.3 m -148.34 161.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 p -99.42 123.15 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 41.6 t -93.41 131.27 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 t -95.8 127.75 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 6.5 t -78.5 129.15 34.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.76 4.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 t -71.48 -13.7 61.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.458 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -133.16 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.8 mmt180 -42.3 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -75.43 -74.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' N ' HG21 ' A' ' 26' ' ' THR . 6.3 mt-10 -47.46 130.87 13.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 18' ' ' SER . 46.7 p-90 -141.92 143.78 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 1.9 p90 -126.83 150.31 71.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 151.62 40.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -164.63 137.7 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 19.7 tp -91.14 101.73 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.375 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 34' ' ' ILE . 94.2 t -54.51 144.7 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' N ' HG13 ' A' ' 33' ' ' VAL . 10.7 pt -153.81 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -125.99 142.58 42.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.466 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 18.3 Cg_endo -74.98 86.62 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t -102.74 -60.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -59.07 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 36' ' ' PRO . 3.4 p30 -62.85 171.34 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -147.87 -59.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 4.7 m-20 -46.66 -50.27 17.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.7 mt -40.57 98.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -80.52 116.3 20.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -110.74 115.23 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -51.66 179.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -78.06 -37.85 45.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.12 25.19 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.4 155.63 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 155.52 43.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.376 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.0 tp -85.93 141.89 29.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -138.91 163.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -121.37 105.64 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -62.28 153.34 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CE2' HG21 ' A' ' 16' ' ' VAL . 64.8 m-85 -109.9 16.1 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.5 mt -101.28 -64.54 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.08 -8.07 17.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 t 63.83 55.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -116.13 169.01 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 55.5 m-85 -101.1 114.53 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 76.9 m-85 -116.52 156.73 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.92 101.01 7.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -111.99 178.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.28 137.87 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.07 9.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.63 -18.31 54.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.55 -17.91 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.406 ' CG2' HG22 ' A' ' 17' ' ' VAL . 18.1 mt -84.84 147.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.97 145.1 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -37.66 151.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.449 ' CG1' HG12 ' A' ' 72' ' ' ILE . 14.7 p -133.22 163.52 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 5.8 m-20 -119.29 43.85 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 15.5 mm -48.54 -61.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.61 -7.86 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 2.7 m-80 -106.52 10.64 31.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 18.2 mt -91.64 157.29 42.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.73 24.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -26.73 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -56.9 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.8 mt-10 -59.1 -56.02 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 mt -47.34 -59.68 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 t -45.59 -52.32 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 68.6 p -75.01 -86.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.3 OUTLIER -40.51 116.75 1.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.63 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -49.78 -48.04 37.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' GLN . 62.3 mt -58.57 -65.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -35.22 -66.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -45.17 -65.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 16' ' ' VAL . . . -44.08 -42.9 6.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.485 ' OG ' ' CG2' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -62.08 -48.8 78.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' OG1' ' A' ' 95' ' ' THR . 9.7 mt -49.01 -43.04 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.489 ' CD1' HG12 ' A' ' 98' ' ' VAL . 84.6 t80 -71.02 -14.52 62.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.3 -10.53 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.75 -41.75 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 43.6 p -85.78 -39.13 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 4.5 mmm180 65.24 35.32 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -151.82 103.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -61.86 162.86 14.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASN . 18.5 Cg_endo -75.04 144.14 29.76 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.445 1.761 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -24.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 99' ' ' PRO . 29.5 m-20 -55.31 -33.01 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 18.6 m0 -85.65 -62.43 1.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER 87.26 -17.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.455 ' HG3' ' CB ' ' A' ' 107' ' ' SER . 1.3 mmt 45.02 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.52 -59.59 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 tt -83.72 -30.09 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.455 ' CB ' ' HG3' ' A' ' 104' ' ' MET . 0.5 OUTLIER -60.44 -25.56 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.24 -18.72 25.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.5 mt -76.58 -15.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -88.2 -63.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.13 137.36 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.2 t -106.76 101.88 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.65 154.07 6.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 124.89 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -177.89 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.3 p -126.57 148.23 49.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 104' ' ' MET . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m -150.57 -64.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.74 153.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.09 -79.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.164 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -162.28 -63.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -169.67 151.82 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.18 -137.78 6.65 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 30.6 mt -101.81 48.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 0.815 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 2.3 t-20 77.79 -57.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 2.3 m-20 61.18 127.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.8 pt-20 -84.84 -52.13 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HA ' ' CE ' ' A' ' 15' ' ' LYS . 10.7 mt -74.55 -46.94 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -61.61 140.97 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.32 26.6 68.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 12' ' ' LEU . 1.3 tttt -136.25 152.07 50.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 54' ' ' PHE . 55.9 t -72.37 136.22 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 67' ' ' ILE . 14.9 m -136.71 159.7 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -98.99 122.31 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.577 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 31.1 t -94.69 122.58 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -85.37 130.8 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -68.8 137.22 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -60.39 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 m -90.13 22.13 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -163.45 62.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.22 -38.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 HG21 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -59.73 -73.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.383 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' HG21 ' A' ' 26' ' ' THR . 3.7 mm-40 -46.5 130.8 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CH2' HG23 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.88 143.96 31.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 108.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.577 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -130.05 147.12 64.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.98 146.71 33.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.57 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -159.09 138.47 11.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 30.8 tp -91.28 118.27 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.12 146.46 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 ' CD1' ' HE1' ' A' ' 104' ' ' MET . 14.2 pt -153.61 -173.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -125.92 127.26 24.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.053 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 t -102.26 -56.22 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.56 -58.5 3.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -48.87 122.01 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -111.35 -59.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -45.37 -55.33 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.94 60.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 t -65.8 142.65 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.6 t -113.32 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -55.66 -170.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -33.77 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.73 22.13 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -138.9 162.2 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -138.93 151.07 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.321 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.9 tp -84.93 116.03 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.83 155.3 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 ttt180 -114.56 116.52 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -63.43 153.65 34.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 16' ' ' VAL . 29.0 m-85 -110.43 8.96 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 94.6 mt -93.88 -64.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 57' ' ' SER . 19.2 t70 -105.45 -20.13 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.2 m 82.57 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.03 154.13 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -91.69 119.5 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.468 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 84.3 m-85 -121.54 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.32 100.71 7.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.562 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.24 178.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.74 137.02 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -31.62 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.1 -27.84 67.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -24.96 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 17' ' ' VAL . 18.9 mt -84.75 139.35 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.88 137.78 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -38.62 142.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 HG23 ' CH2' ' A' ' 28' ' ' TRP . 9.0 p -138.35 154.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.225 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.11 86.94 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 90' ' ' SER . 6.2 mm -83.23 -40.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt -71.0 -5.42 31.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 21.8 m-80 -107.96 12.29 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.8 mt -87.93 154.83 52.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 144.47 29.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -22.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -49.51 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' LYS . 64.3 mm-40 -65.92 -47.04 76.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.84 -55.65 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.1 t -50.8 -38.65 49.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.1 p -89.2 -88.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -41.47 117.96 1.74 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -53.43 -53.24 36.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 83' ' ' LYS . 84.5 mt -55.01 -59.63 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -61.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.14 -49.16 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -63.46 -46.34 86.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' OG1' ' A' ' 95' ' ' THR . 9.4 mt -49.07 -46.67 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 32' ' ' LEU . 81.4 t80 -68.12 -13.97 62.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 mt -90.69 -12.34 37.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -114.68 -44.06 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.355 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 91' ' ' ILE . 53.1 p -82.22 -31.98 30.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 1.3 mmm180 55.37 42.77 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.12 112.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.572 HG12 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -70.16 163.16 64.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.5 Cg_endo -74.85 150.18 38.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -50.38 -23.09 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -62.92 -26.38 68.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 14.3 m0 -85.44 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.62 72.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.443 ' HE1' ' CD1' ' A' ' 34' ' ' ILE . 3.3 mtt -93.28 -77.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -173.61 41.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 109' ' ' ILE . 0.8 OUTLIER -150.3 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -43.34 -32.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -36.33 19.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' ILE . 71.7 mt -56.18 -19.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.52 -68.38 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.99 76.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.0 p -102.25 168.37 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.83 -125.08 2.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 36.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.418 1.746 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.31 -58.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 m 64.32 118.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p 55.31 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -176.39 -58.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.83 -166.26 12.5 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -83.0 -60.14 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.46 95.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.48 -175.34 15.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -145.43 102.58 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -121.67 -45.86 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 173.62 157.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.376 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.6 pt-20 -86.22 -43.9 12.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' CD2' ' HE2' ' A' ' 15' ' ' LYS . 48.7 mt -86.2 -49.43 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -51.58 143.0 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.1 72.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.18 158.17 39.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 0.803 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.634 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 33.1 t -73.84 137.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -139.97 162.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.1 p -100.19 130.23 46.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 39.7 t -103.52 123.65 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 t -85.85 126.36 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.26 130.2 37.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -24.14 63.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 m -85.28 -22.74 28.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.04 86.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -39.44 -47.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -49.85 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.453 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.82 129.31 22.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -143.08 144.47 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 107.995 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -130.54 145.6 58.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -74.96 145.1 31.18 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -158.18 139.44 13.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.2 tp -91.79 115.31 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 52.0 t -61.2 144.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 33' ' ' VAL . 12.9 pt -160.27 175.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.3 p -124.38 139.92 33.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -59.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.093 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -61.58 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -42.94 136.94 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.47 -61.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -45.3 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.6 90.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -73.69 114.77 12.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.5 t -106.15 114.15 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -53.87 167.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.47 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.27 24.16 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.87 163.72 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.69 153.42 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.23 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ILE . 39.2 tp -86.19 128.05 34.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 m -127.75 164.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 6.6 ttt180 -122.53 111.91 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -61.99 151.99 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 38.9 m-85 -108.44 13.05 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -99.14 -64.09 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 57' ' ' SER . 10.8 t0 -102.44 -22.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.9 p 82.89 43.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.1 177.84 4.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.33 115.39 27.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -120.44 152.14 38.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.64 1.212 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -116.95 105.53 12.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -115.05 178.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -96.68 130.83 43.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -21.48 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -74.18 -31.23 62.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' ALA . 1.9 m-20 -80.09 -14.5 58.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 68' ' ' LYS . 18.5 mt -93.74 150.49 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -155.68 146.17 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.42 142.81 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.9 p -142.03 151.98 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 28.9 m-20 -117.08 81.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mm -68.25 -38.48 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.59 -8.93 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 5.4 m-20 -99.71 9.2 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.5 mt -90.51 154.07 46.16 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.3 Cg_endo -74.98 144.65 30.58 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.434 1.755 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -27.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 76' ' ' PRO . 0.2 OUTLIER -64.67 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.948 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -52.78 -39.2 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.8 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -44.43 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 39.4 p -64.23 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -41.0 117.7 1.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.17 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.57 -23.21 42.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.3 mt -92.77 -33.58 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -57.52 -74.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -50.69 51.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.81 -57.96 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -59.28 -46.64 87.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -48.67 -47.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CD1' HG11 ' A' ' 98' ' ' VAL . 73.0 t80 -67.75 -14.39 62.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -91.29 -10.52 41.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.12 -44.36 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -82.32 -28.96 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 15.7 mmm180 56.99 42.12 26.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.7 p -162.6 110.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.483 ' CG1' ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.37 163.1 15.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 151.71 40.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -21.81 3.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.73 -9.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 13.0 m0 -103.44 -52.45 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.62 71.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.415 ' SD ' ' CB ' ' A' ' 107' ' ' SER . 3.7 mmt -49.28 179.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 -52.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -41.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.415 ' CB ' ' SD ' ' A' ' 104' ' ' MET . 3.3 t -60.37 -21.33 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -27.07 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.95 -21.55 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -49.85 -74.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -44.37 137.19 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.97 88.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 -105.8 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.51 35.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.4 p -88.05 -59.37 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.6 m -130.66 135.31 47.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -59.54 114.63 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.95 103.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.9 -140.18 3.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.644 1.215 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -145.08 159.9 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -170.81 102.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.36 175.78 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.83 92.9 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -138.82 117.8 12.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.34 144.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.0 pt-20 -90.67 -50.98 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 60.3 mt -71.49 -54.06 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.55 143.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.36 18.01 34.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -135.59 151.03 49.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.616 ' CG2' ' CE2' ' A' ' 54' ' ' PHE . 97.2 t -74.19 142.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 6.1 m -142.18 162.34 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 8.2 p -98.88 122.63 42.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 29' ' ' TYR . 92.3 t -100.36 120.65 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 t -75.75 119.78 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 1.4 m -54.65 125.3 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.087 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.73 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -90.72 -9.7 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -138.73 104.1 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -65.04 -13.91 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -96.1 -78.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' THR . 2.6 mm-40 -38.49 134.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.66 144.26 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE1' ' HB1' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -124.39 146.44 52.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.03 143.87 29.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -155.92 140.71 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.8 tp -92.56 114.29 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.03 145.52 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.6 pt -154.82 -173.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 t -126.11 132.94 24.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.18 -49.68 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.65 -54.44 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -64.14 152.64 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 -58.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.11 -52.69 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.4 mm -71.17 60.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -57.78 144.97 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -112.61 129.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -83.37 -33.73 25.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 24.03 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -131.93 162.29 31.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.79 149.23 30.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 tp -85.06 123.11 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.6 155.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 4.3 ttt180 -112.56 106.96 15.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 153.77 29.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.616 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 53.5 m-85 -109.67 13.98 23.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.9 mt -97.89 -64.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -106.26 -11.9 15.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m 69.6 51.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -110.59 160.22 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 49.0 m-85 -95.66 108.25 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -115.57 152.77 32.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -117.12 108.27 15.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.02 178.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.11 134.54 42.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -18.78 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -78.7 -15.2 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -18.23 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.373 1.045 . . . . 0.0 109.218 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.406 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 19.5 mt -90.18 148.0 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' N ' HG22 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -153.94 144.14 22.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.6 146.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.1 p -145.3 147.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -117.57 81.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.9 mm -70.18 -43.09 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.11 -6.89 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -108.62 12.35 25.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 28.9 mt -94.28 158.22 36.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.07 34.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -27.06 22.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.67 -45.92 84.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.6 mt-10 -69.02 -47.36 65.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.27 -51.87 68.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 t -54.01 -44.2 70.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 72.7 p -83.51 -85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.97 112.56 0.93 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.94 8.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -68.88 -41.83 80.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.17 -52.73 45.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.17 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.96 -50.12 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' CB ' HG11 ' A' ' 16' ' ' VAL . . . -51.45 -50.45 59.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.479 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -60.97 -47.54 85.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.9 mt -48.63 -46.49 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CZ ' HD22 ' A' ' 32' ' ' LEU . 64.7 t80 -68.88 -12.63 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -93.52 -11.42 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.14 -52.57 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 96' ' ' ARG . 12.8 p -79.46 -9.76 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 4.8 mmm-85 37.48 52.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.2 p -169.61 111.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -62.31 162.89 16.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.11 152.05 39.78 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.501 1.79 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -45.26 -35.59 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -50.57 -43.33 56.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m95 -65.07 -61.45 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.9 tttt 63.5 78.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.8 mmt -83.32 159.69 21.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -168.9 38.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -88.85 -20.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -33.84 76.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -84.09 -29.43 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.94 -18.72 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.42 -65.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.05 90.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.9 p -125.1 124.4 41.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.84 157.23 0.38 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 126.87 10.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 159.03 25.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.2 m -120.78 167.65 12.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.2 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -144.92 171.33 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.64 157.19 4.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -150.99 -58.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -146.93 -62.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.05 152.78 12.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.572 1.17 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt 54.8 77.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.56 168.83 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 3.1 m-20 -152.98 129.61 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.6 pt-20 -87.45 -48.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.217 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 17.0 mt -77.96 -50.57 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -53.17 142.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.26 12.11 49.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' CD1' ' A' ' 32' ' ' LEU . 1.1 tttt -132.89 152.77 51.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 55.8 t -73.0 147.15 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 67' ' ' ILE . 14.4 m -145.28 166.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.428 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 66.8 p -104.61 128.93 52.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 6.8 t -100.91 125.29 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.69 128.07 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.8 136.58 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.93 -18.43 59.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 m -92.93 -23.06 18.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.81 90.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -44.46 -36.09 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -68.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.27 127.92 18.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CH2' HG23 ' A' ' 70' ' ' VAL . 37.7 p-90 -143.75 145.48 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -129.93 147.66 66.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.94 149.54 37.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -165.03 135.47 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 15' ' ' LYS . 51.0 tp -91.35 118.55 30.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.63 146.12 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.419 HD13 ' CD2' ' A' ' 50' ' ' LEU . 1.2 pt -154.58 -171.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -128.32 146.71 60.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -54.94 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.74 -60.3 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -47.32 144.98 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 -55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' THR . 37.9 m-20 -43.41 -55.38 4.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.33 61.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' ASP . 3.2 m -56.02 142.35 36.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.6 t -103.13 155.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -109.38 -156.45 0.59 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -94.69 -24.47 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.79 20.65 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -139.79 155.2 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 154.25 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 34' ' ' ILE . 25.3 tp -86.01 149.25 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.8 163.79 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 3.8 tpp180 -116.25 108.64 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -65.84 153.21 42.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.786 ' CE1' ' CH2' ' A' ' 102' ' ' TRP . 51.0 m-85 -111.8 6.26 19.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.613 1.196 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.404 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 5.0 mp -94.17 -64.61 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -99.18 -9.12 24.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.393 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p 64.95 43.6 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -115.05 173.2 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 89.1 m-85 -96.32 147.46 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 71.0 m-85 -148.39 148.63 30.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.56 101.83 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -113.86 178.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.79 134.07 41.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -23.54 6.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -23.58 61.89 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.34 -22.81 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 17' ' ' VAL . 13.9 mt -86.54 141.29 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.0 141.56 17.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.234 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -37.99 148.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG23 ' CH2' ' A' ' 28' ' ' TRP . 7.2 p -144.94 148.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.7 m-20 -109.09 85.2 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 72' ' ' ILE . 4.3 mm -77.51 -46.68 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.9 -10.17 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 51.3 t30 -100.98 12.09 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' A' ' 86' ' ' LEU . 59.5 mt -92.17 153.63 43.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -25.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -52.46 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.944 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.4 mt-10 -60.26 -51.14 70.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -53.46 -55.81 22.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -50.16 -51.73 41.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 70.9 p -74.31 -84.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.3 124.38 1.74 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.19 -51.61 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 83' ' ' LYS . 74.0 mt -50.5 -49.25 56.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -50.2 -57.56 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.21 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -39.57 -56.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.045 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.407 ' O ' ' OG1' ' A' ' 95' ' ' THR . 9.6 mt -49.12 -43.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CD1' HG13 ' A' ' 98' ' ' VAL . 73.5 t80 -70.31 -14.27 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.3 mt -91.98 -10.64 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.51 -50.57 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ARG . 33.2 p -79.48 -12.17 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 1.9 mmm-85 37.28 51.12 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.6 p -168.86 106.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.08 15.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.39 42.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.16 -35.03 10.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -52.25 -25.46 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.786 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 m0 -92.64 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.14 67.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.423 ' CB ' ' HB3' ' A' ' 107' ' ' SER . 3.3 mmt -48.71 176.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.81 -43.56 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.34 -32.85 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.423 ' HB3' ' CB ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -60.16 -16.49 33.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -95.59 -17.22 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.7 mt -83.93 -28.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 mt -47.01 -67.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 66.25 132.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -104.13 86.26 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.43 155.34 26.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.819 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.9 t -82.21 -53.3 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 m -73.69 156.36 38.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.023 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.1 mt -89.45 -44.32 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.05 148.99 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.716 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 78.89 1.46 84.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -123.56 164.39 19.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.052 HG22 ' CE2' ' A' ' 54' ' ' PHE . 29.2 t -73.66 139.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.0 m -142.2 158.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -99.63 124.63 45.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.6 t -97.54 127.49 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.1 t -89.17 126.03 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 143.8 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.52 -24.58 34.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.068 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -87.56 -17.63 31.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -157.63 90.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -46.24 -25.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -68.56 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.45 129.79 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CH2' HD21 ' A' ' 86' ' ' LEU . 35.8 p-90 -143.48 145.79 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.8 147.18 64.45 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.97 148.76 35.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.799 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -161.25 135.71 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD11 ' C ' ' A' ' 14' ' ' GLY . 27.1 tp -91.32 101.45 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 34' ' ' ILE . 42.0 t -49.14 150.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.0 pt -163.63 177.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 t -116.83 146.68 38.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.72 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.27 -60.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.63 -63.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -53.16 132.39 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.62 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -51.12 -41.78 60.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.7 mm -47.38 95.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.8 m -84.13 116.52 22.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.71 116.67 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 168.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.87 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.11 24.52 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -126.92 162.25 26.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.246 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 151.2 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.0 tp -85.85 139.03 31.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.543 HG12 HG22 ' A' ' 33' ' ' VAL . 14.2 m -135.6 164.53 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.379 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 8.3 ttt180 -118.67 109.66 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 t -62.58 154.33 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.052 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.9 m-85 -111.72 12.15 21.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 98.3 mt -101.41 -64.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.16 -7.93 17.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t 64.38 49.34 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -107.47 160.04 15.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -94.43 110.4 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.678 ' HB3' HD11 ' A' ' 62' ' ' ILE . 87.8 m-85 -113.11 155.14 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.793 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.95 100.65 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.062 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.793 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.94 178.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.27 135.7 41.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.5 mmm180 -56.5 -17.66 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -14.01 58.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.747 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -96.0 -16.54 21.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 64' ' ' ARG . 31.1 mt -88.59 157.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -168.77 135.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -38.27 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 72' ' ' ILE . 5.6 p -146.52 163.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.9 OUTLIER -119.56 82.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.559 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.7 mm -79.62 -40.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -75.12 -2.32 27.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.73 -7.42 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 72' ' ' ILE . 19.1 mt -68.13 157.03 88.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.22 40.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.4 OUTLIER -58.46 -20.32 44.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -69.69 -44.2 70.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' LYS . 67.1 mm-40 -70.27 -46.22 64.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' OG ' ' A' ' 90' ' ' SER . 26.3 mt -65.02 -55.64 17.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 42.9 t -46.63 -24.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -105.91 -87.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.697 ' CB ' HD12 ' A' ' 86' ' ' LEU . 2.2 mptp? -39.85 120.28 1.44 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.568 1.825 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.27 -31.11 1.35 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 ' CB ' ' A' ' 83' ' ' LYS . 86.2 mt -79.54 -61.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -38.73 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.86 -54.74 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.51 -51.73 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.651 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -58.81 -48.01 82.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -49.14 -45.04 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CD1' HG13 ' A' ' 98' ' ' VAL . 47.6 t80 -69.28 -13.93 62.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.65 -10.08 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.69 -47.27 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 97' ' ' VAL . 43.6 p -82.17 -14.34 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 40.4 48.54 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 97' ' ' VAL . 10.9 p -162.14 106.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.33 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 157.33 42.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.25 -17.96 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.2 -16.33 63.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.7 m0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 107.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 69' ' ' GLU . 11.2 mt -76.36 -48.57 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -72.15 149.09 45.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.685 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 80.92 0.04 87.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -124.48 164.32 19.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.914 HG22 ' CE2' ' A' ' 54' ' ' PHE . 53.9 t -73.77 135.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' ALA . 6.9 m -134.45 164.6 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.544 ' HB3' HG21 ' A' ' 70' ' ' VAL . 4.6 p -104.34 120.05 40.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 58.7 t -90.9 135.95 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 66' ' ' ASP . 20.3 t -100.18 127.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 3.6 t -76.46 128.96 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -72.08 -8.69 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 2.2 mt-10 -138.25 58.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' SER . 7.0 mtt-85 -41.05 -28.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -73.46 -73.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.22 133.12 12.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 43.7 p-90 -142.66 141.25 31.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.772 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 p90 -124.56 149.42 61.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.677 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.92 151.05 39.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.74 135.95 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.685 HD11 ' C ' ' A' ' 14' ' ' GLY . 49.4 tp -91.1 114.41 26.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 17' ' ' VAL . 81.5 t -65.23 151.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.594 HD13 ' HE ' ' A' ' 52' ' ' ARG . 3.2 pt -151.92 -172.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 t -126.84 128.77 24.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.81 3.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -102.51 -52.9 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -67.5 138.34 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.44 -61.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 6.9 m-20 -45.25 -44.2 11.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mm -48.29 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.1 m -90.31 117.29 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -110.18 128.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.87 178.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.19 -2.91 58.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.5 24.81 7.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt-30 -134.97 162.55 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.73 128.38 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -129.33 159.26 41.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -115.51 111.76 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 t -66.66 152.43 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.914 ' CE2' HG22 ' A' ' 16' ' ' VAL . 41.9 m-85 -110.5 12.32 22.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 77.2 mt -102.26 -64.48 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -99.17 -9.42 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.6 p 64.38 44.39 4.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -112.04 164.59 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -97.87 118.53 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.8 m-85 -119.88 152.53 37.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 6.8 t -116.89 106.68 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.49 178.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.09 136.24 38.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.04 -22.86 4.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -70.95 -27.11 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -83.77 -24.33 31.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.3 mt -84.6 140.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.67 144.55 19.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 12' ' ' LEU . 8.3 mt-10 -37.92 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 18' ' ' SER . 3.3 p -145.57 156.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -120.66 78.43 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.496 HD12 HD22 ' A' ' 86' ' ' LEU . 4.3 mm -73.18 -43.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 73' ' ' LEU . 2.7 mt -71.99 -5.22 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -106.75 6.67 29.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 86' ' ' LEU . 20.1 mt -87.06 156.54 54.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 137.61 21.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.0 -29.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -57.29 -47.51 81.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LYS . 66.1 mm-40 -65.99 -48.72 70.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.795 HD22 ' OG ' ' A' ' 90' ' ' SER . 41.5 mt -57.87 -55.03 40.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -47.71 -35.72 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 78' ' ' SER . 71.5 p -93.07 -86.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.674 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.59 117.72 1.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.448 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -51.63 -42.87 52.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 30' ' ' PRO . 27.1 mt -70.54 -54.26 12.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -37.66 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -55.73 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.665 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -43.71 -53.04 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.795 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.5 -49.62 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.05 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -49.04 -48.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.7 t80 -65.76 -14.12 60.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -92.06 -9.93 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.53 -48.52 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 26.4 p -81.47 -10.8 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 37.93 34.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 5.5 p -137.86 101.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.23 163.44 14.04 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 151.99 40.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -30.4 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.87 -27.91 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.725 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.6 m0 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 108.041 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 mt -86.71 -35.52 19.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.76 150.34 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 67.0 13.29 61.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.48 160.07 32.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 0.761 . . . . 0.0 109.353 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 54' ' ' PHE . 8.1 t -79.24 142.3 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.6 m -142.37 157.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.478 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 26.7 p -99.56 128.5 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.8 t -99.57 132.48 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.2 t -94.79 129.66 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.6 121.07 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -19.47 64.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 m -96.86 -12.72 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -160.39 82.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.0 mmt85 -42.27 -35.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -58.0 -72.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -49.73 128.38 17.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 38.6 p-90 -143.78 145.53 32.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.716 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.16 148.09 68.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.01 151.7 39.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.77 137.02 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 15' ' ' LYS . 40.3 tp -91.18 110.99 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -53.59 147.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 33' ' ' VAL . 24.5 pt -154.62 -177.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -124.12 142.16 39.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -52.28 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -52.34 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -45.99 133.17 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -129.73 -56.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -45.27 -56.04 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 42' ' ' ILE . 44.6 mm -70.3 61.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -55.48 113.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 48' ' ' GLN . 78.8 t -77.84 137.4 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -80.28 -153.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -97.83 -34.03 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.55 23.0 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mt-30 -134.77 147.74 50.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 151.88 45.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.238 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.76 125.93 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.5 m -118.84 172.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 2.9 ttt180 -126.51 106.24 9.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -62.12 153.8 28.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.105 ' CE2' HG22 ' A' ' 16' ' ' VAL . 50.9 m-85 -110.08 14.62 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 79.0 mt -100.66 -63.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -105.38 -12.53 15.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 69.33 47.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.03 163.86 12.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -99.17 114.93 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 62' ' ' ILE . 64.0 m-85 -120.54 151.89 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.817 ' C ' HD13 ' A' ' 62' ' ' ILE . 3.9 t -117.9 103.19 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.81 178.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.49 134.81 40.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.6 mmm180 -49.87 -22.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -70.29 -42.67 71.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -69.15 -20.68 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 19' ' ' VAL . 39.0 mt -89.15 150.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.9 138.13 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.0 tm-20 -37.84 149.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.77 150.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -107.2 84.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.7 mm -79.09 -40.9 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 73' ' ' LEU . 3.7 mt -72.43 -5.52 37.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.45 12.19 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.718 HD13 HD13 ' A' ' 86' ' ' LEU . 29.6 mt -87.89 156.08 52.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.09 29.72 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 -22.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -59.39 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' LYS . 9.3 mt-10 -53.65 -46.97 70.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' OG ' ' A' ' 90' ' ' SER . 22.7 mt -64.53 -50.03 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 t -53.04 -20.31 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -113.53 -88.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.15 117.43 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.01 -38.64 31.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 30' ' ' PRO . 81.4 mt -73.3 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -36.58 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -63.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.19 -49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.622 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -60.98 -47.28 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 95' ' ' THR . 11.8 mt -49.92 -42.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.388 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.83 -13.06 61.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.609 1.193 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.7 mt -92.9 -10.83 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.64 -50.25 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 HG23 ' A' ' 91' ' ' ILE . 31.0 p -79.67 -15.93 56.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 41.07 48.55 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 97' ' ' VAL . 12.9 p -163.53 109.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.467 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.31 163.04 15.55 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.97 155.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.69 -26.58 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.98 -36.69 72.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HG3' HD23 ' A' ' 12' ' ' LEU . 8.5 pt-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.532 HD21 ' OE2' ' A' ' 69' ' ' GLU . 38.0 mt -77.18 -34.96 56.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -78.98 147.75 32.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.765 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 78.58 3.5 86.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.74 166.62 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.108 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.1 t -73.25 134.92 28.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.9 m -139.92 158.32 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.526 ' OG ' ' CE3' ' A' ' 28' ' ' TRP . 43.8 t -99.09 134.79 41.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.686 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.7 t -109.05 124.84 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.8 t -82.33 124.22 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 137.59 53.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.1 62.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -78.52 -25.66 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.63 94.34 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' O ' HG13 ' A' ' 20' ' ' VAL . 15.7 mmt180 -44.73 -40.28 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -57.34 -68.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -46.2 131.1 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.165 . . . . 0.0 110.358 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CE3' ' OG ' ' A' ' 18' ' ' SER . 42.2 p-90 -143.89 144.66 31.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -130.28 145.59 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.802 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.99 147.56 34.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.853 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -160.12 138.77 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD11 ' C ' ' A' ' 14' ' ' GLY . 36.1 tp -94.91 104.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 34' ' ' ILE . 51.0 t -53.49 148.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.8 pt -160.14 -176.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 t -123.77 129.53 24.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -52.87 62.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 -61.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 108.348 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -48.68 147.66 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -140.85 -54.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -50.46 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.543 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.2 mp -70.19 61.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -52.34 143.79 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 49' ' ' CYS . 53.1 t -114.62 132.26 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 166.99 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.15 64.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.71 24.39 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.41 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -132.6 161.75 33.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -152.12 147.64 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.265 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 59' ' ' PHE . 12.7 tp -85.1 123.68 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.624 HG12 HG22 ' A' ' 33' ' ' VAL . 16.3 m -117.67 160.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.513 ' HD3' ' CE3' ' A' ' 102' ' ' TRP . 11.1 ttt180 -112.48 110.11 20.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -62.53 154.33 29.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.108 ' CE2' HG22 ' A' ' 16' ' ' VAL . 35.6 m-85 -111.9 9.28 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.439 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.0 mt -96.65 -64.78 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.56 -10.51 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.421 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 9.6 p 67.98 50.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.6 -179.27 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.448 ' HB3' HD11 ' A' ' 50' ' ' LEU . 94.4 m-85 -113.38 117.07 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 62' ' ' ILE . 92.0 m-85 -119.08 156.22 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.799 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -118.72 99.47 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.29 178.74 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.478 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -101.08 134.57 43.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.0 mtm180 -54.11 -20.56 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 pttt -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -79.28 -18.69 52.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 64' ' ' ARG . 24.9 mt -85.94 145.62 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.74 136.16 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE2' HD21 ' A' ' 12' ' ' LEU . 13.6 mt-10 -38.75 146.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HG12 ' A' ' 72' ' ' ILE . 6.0 p -146.56 147.98 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.1 m-20 -105.95 81.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.815 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.0 mm -76.22 -37.8 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -73.75 -2.52 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 24.0 t30 -103.13 -10.13 19.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 86' ' ' LEU . 46.7 mt -65.46 153.39 90.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.01 33.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -22.7 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.48 -48.25 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 57.8 mm-40 -66.22 -43.94 85.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.543 HD22 ' OG ' ' A' ' 90' ' ' SER . 45.8 mt -64.42 -59.66 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -44.31 -26.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 78' ' ' SER . 47.4 p -103.05 -88.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.616 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.9 117.04 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.439 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -54.71 -42.45 77.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.802 HD23 ' HG3' ' A' ' 30' ' ' PRO . 20.3 mt -71.28 -51.32 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.87 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.77 -45.79 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HG21 ' A' ' 72' ' ' ILE . . . -57.01 -48.58 78.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.815 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -64.42 -46.59 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -47.55 -49.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 27.1 t80 -66.71 -13.14 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.1 mt -93.04 -9.97 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.688 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.87 -50.61 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.45 HG21 HG23 ' A' ' 91' ' ' ILE . 18.5 p -78.89 -28.3 44.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 10.4 mmm180 56.49 40.68 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.28 101.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.454 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.24 163.13 15.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.0 Cg_endo -75.07 150.65 38.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.01 -24.79 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.187 . . . . 0.0 109.35 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.84 -16.29 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.513 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 8.9 m0 . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -89.8 -36.43 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -81.37 149.03 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.718 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.45 1.54 76.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.57 170.0 10.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 54' ' ' PHE . 88.9 t -74.02 146.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.456 HG21 HG21 ' A' ' 67' ' ' ILE . 8.2 m -150.24 163.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.02 116.38 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 29' ' ' TYR . 55.0 t -90.87 119.57 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.6 t -83.61 125.98 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -68.57 125.1 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.37 64.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.3 m -77.02 -7.84 56.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.476 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -142.2 80.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.33 -20.33 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -82.43 -80.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.29 133.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.286 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CH2' HD21 ' A' ' 86' ' ' LEU . 45.5 p-90 -143.8 141.28 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.2 p90 -126.11 148.66 64.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.03 149.27 36.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.54 138.93 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 14' ' ' GLY . 17.0 tp -91.29 111.13 22.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 83.3 t -64.0 141.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.4 pt -159.13 -175.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -124.09 147.64 55.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.573 1.828 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -60.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.38 -63.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.73 118.92 2.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -103.03 -58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.87 -49.26 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.1 mm -40.37 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -84.28 114.83 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.73 128.67 66.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -64.24 -170.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -87.52 -39.13 15.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 24.91 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -125.32 153.53 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.83 149.62 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' ILE . 31.0 tp -85.6 113.77 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG12 HG22 ' A' ' 33' ' ' VAL . 5.2 m -111.77 156.22 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 4.2 ttt180 -115.33 110.06 18.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -62.14 153.22 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 16' ' ' VAL . 43.3 m-85 -109.79 11.74 24.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 90.0 mt -96.82 -64.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -101.54 -7.95 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 p 64.6 50.0 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -115.42 174.32 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 93.2 m-85 -106.01 127.09 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.9 m-85 -125.17 157.65 35.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.35 98.62 6.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.66 178.65 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.85 141.1 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.83 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -19.46 58.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -93.49 -16.94 23.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG21 HG21 ' A' ' 17' ' ' VAL . 18.9 mt -88.66 135.17 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.203 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -150.51 139.14 20.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -38.54 153.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 71' ' ' ASP . 1.4 p -146.49 171.26 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 72' ' ' ILE . 4.5 mm -66.54 -43.97 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 93' ' ' LEU . 7.6 mt -73.91 -3.81 31.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -112.66 12.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.419 HD13 HD13 ' A' ' 86' ' ' LEU . 15.7 mt -89.07 157.98 47.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.71 22.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -27.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.75 -57.58 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.3 mt-10 -57.72 -50.85 71.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -50.51 -58.0 6.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -49.38 -58.23 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -67.9 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.827 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.15 116.38 2.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -41.66 -39.9 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 83' ' ' LYS . 90.2 mt -63.44 -69.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -36.18 -59.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -66.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.624 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -45.75 -42.46 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.53 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.8 OUTLIER -62.04 -47.32 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.929 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 mt -49.77 -41.2 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.87 -14.36 61.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 7.2 mt -90.99 -10.27 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.97 -42.69 3.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.3 p -85.95 -40.61 15.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 65.26 38.39 5.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.232 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.95 101.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.571 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.12 163.04 14.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 152.46 40.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -22.78 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.04 -15.45 63.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.2 m0 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 38.7 mt -88.29 -36.66 16.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -75.95 148.44 38.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.24 14.5 66.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -130.52 163.51 26.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 0.715 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.115 HG22 ' CE2' ' A' ' 54' ' ' PHE . 24.9 t -75.66 144.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.5 m -144.34 157.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 p -99.84 126.3 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.595 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 51.7 t -98.99 125.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.5 t -89.07 126.29 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 138.64 47.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -32.08 52.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.8 p -80.54 -21.52 41.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.47 86.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -40.37 -48.74 2.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -47.45 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -48.87 125.8 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CH2' HD21 ' A' ' 86' ' ' LEU . 39.8 p-90 -143.85 145.18 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -132.75 146.78 62.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.93 152.29 40.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.91 143.64 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 15' ' ' LYS . 21.8 tp -96.18 114.69 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.0 t -64.5 144.39 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 9.0 pt -155.72 -173.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -126.39 137.55 30.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 100.28 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p -107.17 -57.79 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 m -70.53 -62.97 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -46.2 167.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.47 -56.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 109.333 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.8 m-20 -50.55 -45.87 57.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.32 90.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.2 m -70.52 116.32 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.482 HG21 ' HG3' ' A' ' 36' ' ' PRO . 69.1 t -104.06 111.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.41 167.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -66.77 -35.89 81.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.95 19.71 12.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -117.77 163.92 15.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.74 148.18 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.9 tp -85.0 119.68 25.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.58 158.19 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 2.5 ttt180 -118.07 108.46 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 t -62.62 154.04 30.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.115 ' CE2' HG22 ' A' ' 16' ' ' VAL . 47.1 m-85 -109.84 14.74 23.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 93.3 mt -98.89 -64.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -105.45 -9.3 17.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t 65.99 54.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 174.2 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 51.7 m-85 -107.62 108.48 19.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 62' ' ' ILE . 94.2 m-85 -110.62 152.06 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.791 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.82 99.48 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.78 178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.78 141.7 34.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -15.48 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -11.97 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -105.98 -22.84 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.9 mt -85.06 137.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -154.93 136.95 14.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 mt-10 -37.43 149.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.8 p -145.09 157.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -111.67 85.01 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.725 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -81.29 -38.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.7 mt -74.42 -1.53 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 3.6 m120 -108.03 6.15 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD13 HD13 ' A' ' 86' ' ' LEU . 43.2 mt -85.0 155.13 61.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.4 31.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.62 -25.35 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -62.66 -55.18 29.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.986 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 29.5 mm-40 -59.86 -39.62 85.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 47.6 mt -66.28 -55.28 16.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -54.82 -31.21 58.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.95 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' SER . 76.4 p -94.16 -87.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.694 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.43 117.57 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.25 -45.06 15.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' CB ' ' A' ' 83' ' ' LYS . 33.8 mt -65.4 -59.1 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -40.23 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -50.42 3.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.67 -48.9 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.725 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -63.16 -44.71 94.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' THR . 7.4 mt -47.05 -51.86 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CD1' HG13 ' A' ' 98' ' ' VAL . 85.5 t80 -64.94 -14.07 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.13 -11.48 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.55 -47.68 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ILE . 12.3 p -81.67 -10.4 59.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 40.54 43.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 95' ' ' THR . 8.7 p -168.87 121.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.687 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -67.18 163.18 48.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.04 151.92 39.95 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -25.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -61.06 -32.68 72.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.687 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.0 m95 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 108.042 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.05 -35.33 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.383 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -80.54 147.84 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.802 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 81.87 -1.33 86.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -119.74 169.29 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.033 HG22 ' CE2' ' A' ' 54' ' ' PHE . 32.1 t -73.44 136.82 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.5 m -137.78 157.37 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.55 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 47.3 p -100.71 128.02 46.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.5 t -98.57 134.85 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -97.95 130.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -73.55 122.3 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.85 77.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -82.33 -11.59 58.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -139.26 69.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -43.81 -26.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.5 m -73.94 -78.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.53 132.1 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CH2' HG21 ' A' ' 70' ' ' VAL . 35.8 p-90 -144.38 145.16 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.059 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.34 148.61 70.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.785 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 150.86 38.74 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.2 139.96 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 15' ' ' LYS . 43.0 tp -91.06 115.32 27.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 51' ' ' VAL . 73.0 t -62.54 147.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.5 pt -158.35 -174.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 146.84 61.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.433 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.4 Cg_endo -75.05 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 m -107.26 -55.93 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.43 -62.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.664 HD21 HD22 ' A' ' 50' ' ' LEU . 24.9 p-10 -50.42 130.54 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.46 -47.12 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.381 1.051 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' THR . 20.2 m-20 -45.7 -53.0 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.3 mp -69.67 63.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ASP . 14.8 m -52.35 126.22 18.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.65 131.16 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 177.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -38.29 28.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -94.51 25.25 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -137.82 162.09 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.55 157.72 44.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 39' ' ' ASN . 20.7 tp -88.55 141.91 28.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.7 m -135.61 166.37 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -124.62 105.95 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.1 t -62.3 153.74 29.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.033 ' CE2' HG22 ' A' ' 16' ' ' VAL . 62.2 m-85 -109.03 15.68 23.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.451 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 80.2 mt -98.71 -64.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -106.31 -10.94 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 m 69.02 50.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.039 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -110.29 171.47 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.29 115.2 29.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.756 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.3 m-85 -115.53 153.75 30.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.36 99.02 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.077 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.74 178.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.2 134.79 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -50.61 -21.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -71.41 -34.6 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.22 -21.0 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.5 mt -86.32 137.38 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.35 135.93 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' LYS . 19.8 mt-10 -36.68 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.4 p -143.99 144.1 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.9 m-20 -102.68 90.39 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.445 HG22 ' CB ' ' A' ' 90' ' ' SER . 5.7 mm -81.54 -43.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 73' ' ' LEU . 1.6 mt -69.64 -6.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 46.4 t30 -103.53 5.43 36.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HD13 ' A' ' 86' ' ' LEU . 48.9 mt -82.57 153.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 144.16 30.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -46.38 -27.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -61.48 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -49.14 -42.12 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.542 HD22 ' OG ' ' A' ' 90' ' ' SER . 38.5 mt -65.85 -62.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -45.12 -26.98 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -100.2 -89.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -43.88 120.16 3.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.8 -42.66 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 30' ' ' PRO . 69.6 mt -66.24 -67.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 0.789 . . . . 0.0 109.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -43.89 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.17 -38.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -75.12 -47.71 27.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.542 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -57.26 -48.33 79.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 95' ' ' THR . 11.2 mt -47.71 -50.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.494 ' HE2' HD13 ' A' ' 32' ' ' LEU . 3.2 t80 -65.71 -13.55 59.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.06 -10.14 40.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.76 -44.19 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.418 ' CB ' HG12 ' A' ' 97' ' ' VAL . 28.0 p -85.98 -9.23 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 37.85 34.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 97' ' ' VAL . 12.3 p -139.13 98.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.462 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.14 163.21 14.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -74.98 156.01 43.03 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -17.92 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.44 -14.84 61.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.798 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 12.9 m0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 107.999 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.29 -40.77 12.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -79.41 148.74 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.766 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.88 1.83 79.91 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.621 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.36 166.5 13.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 54' ' ' PHE . 96.7 t -73.53 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.7 m -136.9 164.92 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.547 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 1.7 p -101.73 123.99 46.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG13 ' OD1' ' A' ' 66' ' ' ASP . 28.0 t -99.25 127.54 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 66' ' ' ASP . 10.7 t -83.96 126.07 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 145.19 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.77 -23.22 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.0 m -90.94 -11.97 37.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.59 86.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.2 mmt180 -39.33 -53.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -45.48 -67.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -47.71 130.05 14.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 42.6 p-90 -142.35 141.48 32.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -124.07 147.4 54.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 149.66 37.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -163.12 139.81 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 14' ' ' GLY . 15.9 tp -91.4 116.2 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 73.5 t -67.62 142.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.2 pt -157.81 -176.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -123.35 147.75 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.76 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -54.19 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -62.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.16 174.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -148.91 -54.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -54.26 -38.38 65.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.532 HG21 HD13 ' A' ' 50' ' ' LEU . 11.1 mm -51.13 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.5 m -77.33 111.06 12.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -108.32 135.33 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.83 171.58 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -78.16 -23.65 47.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.37 23.7 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -142.81 162.4 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 153.55 46.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 42' ' ' ILE . 18.4 tp -85.1 129.76 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.2 m -125.58 154.61 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tpt180 -113.84 111.36 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -62.74 153.99 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.12 ' CE2' HG22 ' A' ' 16' ' ' VAL . 37.3 m-85 -110.24 13.91 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.1 mt -100.54 -64.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -105.88 -12.25 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 0.7 OUTLIER 69.6 50.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -107.71 146.8 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 29.9 m-85 -84.04 103.08 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.692 ' HB3' HD11 ' A' ' 62' ' ' ILE . 27.5 m-85 -109.18 148.02 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.787 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.87 99.8 7.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.787 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.65 178.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -94.25 133.43 37.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -54.29 -19.15 4.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 8.1 ptpt -70.23 -30.84 68.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.899 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.3 p30 -82.49 -13.88 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 19' ' ' VAL . 11.3 mt -87.51 147.42 5.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.897 ' HE2' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -159.34 146.73 17.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.18 146.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.6 p -146.47 143.79 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.212 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -112.16 87.59 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.602 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.1 mm -77.96 -41.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -70.54 -5.53 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 2.0 t30 -109.68 12.63 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 86' ' ' LEU . 19.6 mt -87.52 158.05 51.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.2 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.47 36.74 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -17.54 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -69.7 -54.43 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 109.995 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.7 mt-10 -59.57 -59.57 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 mt -44.56 -57.48 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -47.3 -50.76 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 78' ' ' SER . 80.4 p -78.97 -85.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.534 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -40.52 114.82 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.61 57.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 75' ' ' LEU . 97.3 mt -59.78 -64.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.71 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -39.69 -49.83 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.873 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.602 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -59.41 -46.5 88.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.24 -52.42 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 82.8 t80 -64.13 -14.31 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -90.91 -9.88 44.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.03 -46.13 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -82.94 -36.84 24.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm-85 61.51 46.93 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 97' ' ' VAL . 11.9 p -160.34 102.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.656 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -61.94 163.21 13.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.06 150.64 38.19 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -22.03 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.68 -21.89 66.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.656 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.0 m0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.7 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 34.9 mt -83.88 -38.35 21.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -75.16 146.53 41.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 70.64 14.77 72.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -130.47 158.71 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.006 HG22 ' CE2' ' A' ' 54' ' ' PHE . 30.0 t -78.91 144.54 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 67' ' ' ILE . 28.3 m -140.26 168.14 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.474 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p -98.43 114.64 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 29' ' ' TYR . 80.4 t -92.2 112.57 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.7 t -77.96 119.6 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.207 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.14 125.85 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.84 69.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 m -81.01 -15.4 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -161.06 89.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.0 mtm180 -40.29 -57.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -42.89 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -46.72 128.46 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.5 p-90 -143.6 145.17 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.053 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -132.02 146.0 59.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.57 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 144.89 30.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -156.31 141.76 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 15' ' ' LYS . 14.1 tp -91.15 121.26 32.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG12 ' CD2' ' A' ' 13' ' ' LEU . 49.8 t -72.04 142.84 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.3 pt -154.49 -173.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 p -126.83 145.47 53.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 95.64 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -105.36 -60.56 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.936 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 t -78.33 -57.05 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 40' ' ' ASP . 6.9 t30 -55.0 163.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 15.3 m-20 -157.08 -49.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -46.54 -59.03 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.7 mt -69.41 62.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ASP . 13.2 t -52.25 147.25 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 50' ' ' LEU . 92.9 t -113.28 125.82 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -63.64 173.01 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.23 69.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.28 25.09 7.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -134.85 162.61 31.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -148.73 144.65 27.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' HG21 ' A' ' 44' ' ' VAL . 21.6 tp -85.38 121.98 28.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' LEU . 19.0 m -118.23 170.69 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 8.3 ttt85 -128.3 109.59 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.96 153.26 29.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.006 ' CE2' HG22 ' A' ' 16' ' ' VAL . 42.9 m-85 -109.15 12.22 25.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.445 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.8 mt -96.01 -62.41 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -103.19 -10.98 18.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.412 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 5.4 m 68.6 48.5 0.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -113.65 159.11 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 89.7 m-85 -92.49 131.36 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -137.71 155.96 48.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 5.6 t -118.01 107.98 14.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.3 178.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -98.87 134.83 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.6 -25.46 6.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.22 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 4.2 ptpt -66.61 -35.8 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.79 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -68.68 -21.98 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.393 1.058 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 64' ' ' ARG . 30.2 mt -84.75 148.8 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.652 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -158.5 27.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.375 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 8.8 tm-20 61.96 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.5 p -145.28 148.38 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -109.88 87.12 2.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.618 1.199 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.565 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.2 mm -74.73 -42.41 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.7 mt -69.4 -7.44 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -105.24 12.11 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 86' ' ' LEU . 36.4 mt -92.65 155.38 42.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.17 25.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -46.27 -29.08 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -56.08 -54.88 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.3 mt-10 -59.95 -57.02 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.7 mt -44.54 -57.71 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -44.34 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' SER . 82.4 p -85.92 -88.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.429 1.081 . . . . 0.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.543 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -39.97 114.37 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.7 -40.61 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 75' ' ' LEU . 95.1 mt -66.23 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.28 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.06 -49.69 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -57.23 -49.48 75.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.07 -46.95 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 mt -46.85 -51.15 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -65.8 -15.09 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mt -89.56 -10.74 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.08 -43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.9 p -83.99 -37.71 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 63.41 46.12 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 97' ' ' VAL . 14.4 p -164.54 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.578 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.55 163.26 15.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.0 147.68 34.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -25.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.77 -34.05 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.5 m0 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -92.14 -36.75 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -83.08 148.56 27.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.752 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 76.83 2.17 75.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.682 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.0 161.89 20.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 0.721 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 54' ' ' PHE . 54.5 t -73.49 127.19 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.2 m -127.8 157.94 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 p -99.47 125.67 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 29' ' ' TYR . 5.3 t -96.7 132.45 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.3 t -96.35 129.64 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -73.31 124.02 24.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.2 -51.6 66.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.1 m -76.52 -12.64 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -136.81 93.81 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.51 -11.22 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -91.99 -71.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 21' ' ' SER . 11.8 mm-40 -46.34 132.66 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 86' ' ' LEU . 34.4 p-90 -144.12 145.64 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.987 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -130.91 148.37 69.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 146.02 32.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -158.76 135.73 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD11 ' C ' ' A' ' 14' ' ' GLY . 16.7 tp -91.26 109.67 20.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.651 HG23 HG21 ' A' ' 17' ' ' VAL . 41.6 t -58.25 138.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.87 -173.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -129.03 146.52 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.0 Cg_endo -75.03 95.88 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.44 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -55.44 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 36' ' ' PRO . 6.0 p30 -57.78 133.99 55.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.4 -50.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.76 -50.2 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.0 mt -70.07 62.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASP . 10.3 t -52.35 143.33 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.32 131.06 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.16 -174.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -83.68 -38.32 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 25.27 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -134.63 164.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.8 150.51 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.3 tp -84.94 129.33 34.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 m -127.56 157.24 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 t -62.19 152.78 32.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.171 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.2 m-85 -108.3 16.93 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -99.96 -65.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -106.46 -9.12 16.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 5.9 p 67.89 47.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -108.64 171.25 7.53 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -95.57 127.95 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.806 ' HB3' HD11 ' A' ' 62' ' ' ILE . 81.2 m-85 -129.19 148.55 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.836 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -117.41 101.65 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.836 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.07 178.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.05 133.24 44.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -18.7 6.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.63 -15.03 59.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.752 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -97.62 -19.56 18.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG22 ' A' ' 19' ' ' VAL . 35.0 mt -85.12 150.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -162.96 137.04 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' LYS . 9.2 tm-20 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.6 127.52 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 74' ' ' ASN . 21.4 p-10 -93.02 87.6 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG22 ' CB ' ' A' ' 90' ' ' SER . 4.7 mm -72.51 -40.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.533 HD21 ' HE3' ' A' ' 94' ' ' LYS . 2.9 mt -66.26 -9.75 35.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB2' ' A' ' 71' ' ' ASP . 22.3 t-20 -93.49 -3.31 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 75.5 mt -82.04 153.81 69.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.51 43.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.1 OUTLIER -58.03 -16.75 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -70.12 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.961 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 45.8 mm-40 -53.39 -45.73 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.77 HD22 ' OG ' ' A' ' 90' ' ' SER . 34.8 mt -64.24 -54.89 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 30.4 t -49.47 -22.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 78' ' ' SER . 69.4 p -104.75 -85.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.79 118.15 1.29 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.33 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.92 -45.5 96.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 54.5 mt -66.51 -56.29 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.364 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -36.92 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -42.9 -53.81 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.808 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -50.07 -56.61 10.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.77 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -56.7 -49.07 76.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.4 mt -47.59 -49.9 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 98' ' ' VAL . 41.2 t80 -66.49 -14.09 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.4 mt -91.32 -9.61 44.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.47 -44.88 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.72 -32.07 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 5.2 mmm180 58.27 38.83 26.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 97' ' ' VAL . 7.2 p -153.06 98.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -61.9 163.23 13.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -75.03 149.81 37.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -24.96 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.62 -16.59 26.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.43 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.1 m0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 107.968 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -90.34 -40.4 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -78.56 148.68 33.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.717 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 80.94 -1.35 84.73 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.56 171.49 8.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 54' ' ' PHE . 38.8 t -73.48 138.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 HG23 ' A' ' 33' ' ' VAL . 18.9 m -140.48 157.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 29.8 p -100.57 127.77 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 67' ' ' ILE . 29.8 t -99.68 121.28 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -82.78 131.36 33.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -64.39 136.15 56.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.01 99.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 23' ' ' THR . 30.4 m -102.6 26.04 8.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' SER . 2.0 mt-10 -173.12 110.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 mpt_? -81.42 -15.3 55.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -82.81 -58.4 2.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.145 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.76 117.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.64 ' CH2' HD21 ' A' ' 86' ' ' LEU . 50.4 p-90 -135.85 154.24 51.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 1.012 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -136.39 142.03 38.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.95 143.24 28.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.012 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -157.28 144.92 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD11 ' O ' ' A' ' 14' ' ' GLY . 36.6 tp -94.58 114.46 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.8 t -66.86 146.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.775 HG21 HH21 ' A' ' 52' ' ' ARG . 2.6 pt -158.73 -172.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 p -126.48 131.67 24.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 70.19 5.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -57.48 2.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.061 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -30.54 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -90.38 162.46 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -141.4 -53.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.7 m-20 -50.72 -37.67 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mm -56.84 88.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 21.9 m -77.62 104.77 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.65 139.83 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -73.92 169.86 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.62 -2.45 42.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -122.27 21.55 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.7 164.79 27.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.63 152.4 37.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 108.209 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -88.3 129.27 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG23 ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -128.48 163.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.775 HH21 HG21 ' A' ' 34' ' ' ILE . 4.7 mtm180 -119.71 108.84 14.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -63.74 153.89 34.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.085 ' CE2' HG22 ' A' ' 16' ' ' VAL . 52.0 m-85 -109.36 10.94 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 97.6 mt -95.47 -63.94 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -102.09 -7.51 22.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.1 m 64.71 52.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 mmtt -115.59 173.8 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.6 m-85 -108.27 105.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 62' ' ' ILE . 97.7 m-85 -110.52 148.6 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 62' ' ' ILE . 9.5 t -117.02 105.99 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.02 178.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -88.03 138.16 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -58.99 -14.94 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.0 p30 -81.67 -17.19 48.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 19' ' ' VAL . 25.7 mt -87.21 131.36 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.54 138.02 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LYS . 10.4 tm-20 -37.01 141.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.1 p -142.98 133.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.2 m-20 -92.58 88.86 6.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -79.49 -46.33 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.644 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -66.72 -9.3 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 55.5 t30 -96.88 3.77 51.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 73.9 mt -85.94 153.92 57.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.9 30.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -45.87 -26.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.8 -60.23 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.4 mm-40 -53.02 -48.66 67.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.47 -57.42 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -46.45 -43.59 16.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 78' ' ' SER . 81.4 p -82.94 -83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -47.83 121.41 8.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.86 -52.7 11.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 70.1 mt -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -53.73 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -39.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.34 68.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.644 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -61.73 -45.88 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.0 mt -47.51 -51.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD1' HG13 ' A' ' 98' ' ' VAL . 11.0 t80 -64.73 -14.71 59.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.594 1.184 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -90.57 -10.62 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.52 -48.58 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.9 ' O ' HG12 ' A' ' 97' ' ' VAL . 23.3 p -81.74 -5.99 58.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 23.0 mmt180 37.17 34.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.9 HG12 ' O ' ' A' ' 95' ' ' THR . 4.1 p -146.21 117.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -82.57 163.26 52.75 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.23 42.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 102' ' ' TRP . 4.1 m-20 -47.53 -35.61 9.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -49.84 -23.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 8.9 m0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 13.8 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -74.94 -41.11 60.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.6 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -70.15 144.4 52.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.588 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 73.9 15.79 79.56 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.14 159.16 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.22 HG22 ' CE2' ' A' ' 54' ' ' PHE . 43.0 t -73.54 130.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' ALA . 17.2 m -134.07 160.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 83.9 p -98.86 131.97 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 62' ' ' ILE . 38.5 t -103.47 125.15 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' ASP . 19.5 t -89.84 128.32 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -71.23 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.87 82.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.1 m -84.16 0.08 50.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -150.39 80.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.227 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -54.69 -18.79 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -81.91 -75.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.32 132.0 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.4 p-90 -144.23 146.79 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.902 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.4 p90 -133.53 149.46 72.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.436 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 134.63 17.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.902 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -145.69 136.87 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 15' ' ' LYS . 31.9 tp -91.06 110.88 22.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 17' ' ' VAL . 61.9 t -58.21 143.48 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.2 pt -156.85 178.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -121.04 145.68 42.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 99.31 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.63 -59.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.079 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -85.6 -39.66 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.271 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -70.06 113.81 7.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -110.45 -55.45 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.95 -55.17 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.3 mt -70.25 61.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.6 t -52.22 145.91 10.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.25 127.7 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 164.25 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.4 75.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.4 25.49 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.62 162.29 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.92 154.71 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 60' ' ' TYR . 29.6 tp -87.12 136.76 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 5.0 m -133.69 158.82 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.502 ' HD2' HD13 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -119.22 105.56 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -63.84 134.09 54.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.22 ' CE2' HG22 ' A' ' 16' ' ' VAL . 56.8 m-85 -88.47 20.45 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.1 mt -100.11 -64.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -102.39 -7.09 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t 65.04 42.9 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -108.09 -171.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 73.6 m-85 -117.13 128.6 55.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 62' ' ' ILE . 73.1 m-85 -127.47 156.55 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.818 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.19 101.28 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.818 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.75 178.59 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.46 138.11 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -21.64 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -74.93 -26.62 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -84.13 -20.96 31.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mt -86.19 143.33 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -159.81 139.79 11.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -37.27 147.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 4.2 p -146.53 138.91 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -101.46 87.28 3.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.52 HG22 ' HB3' ' A' ' 90' ' ' SER . 4.3 mm -79.56 -39.62 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.047 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.8 mt -73.49 -4.18 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -109.6 12.57 24.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 86' ' ' LEU . 23.9 mt -89.08 156.54 49.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.55 35.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -20.47 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -62.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.9 mt-10 -52.52 -58.84 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.63 -54.62 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -49.43 -36.16 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' LYS . 70.0 p -94.7 -85.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -36.84 112.9 0.58 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -29.63 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -49.33 40.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 75' ' ' LEU . 80.6 mt -55.82 -60.8 2.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -36.58 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -41.65 -58.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -47.74 -50.15 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.52 ' HB3' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -59.31 -46.88 87.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -48.82 -47.41 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CD1' HG13 ' A' ' 98' ' ' VAL . 81.5 t80 -66.8 -13.23 61.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.8 mt -93.67 -9.35 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.54 -46.61 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -83.0 -23.57 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 19.6 mmm180 49.95 41.5 23.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 97' ' ' VAL . 10.6 p -163.08 105.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.588 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.1 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.98 155.02 42.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -47.47 -39.81 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -48.51 -26.1 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 10.7 m0 . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD22 HG11 ' A' ' 17' ' ' VAL . 6.4 mt -70.16 -47.31 62.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -62.49 144.61 55.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.689 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 66.15 17.56 65.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 pttt -130.54 155.44 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.143 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.5 t -73.37 135.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.648 HG11 HD22 ' A' ' 12' ' ' LEU . 14.4 m -137.3 159.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.4 p -102.06 128.06 48.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.691 ' CG1' HG21 ' A' ' 62' ' ' ILE . 32.5 t -99.57 130.62 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.2 t -91.99 129.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.4 m -75.21 121.75 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -22.56 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -89.69 -29.16 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.6 pt-20 -145.38 77.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HA ' HG12 ' A' ' 20' ' ' VAL . 18.6 mmt85 -36.62 -32.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . 1.1 m -60.48 -65.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.69 128.85 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.6 p-90 -140.88 143.94 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.817 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -130.56 145.51 57.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.07 149.48 36.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -162.36 139.66 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' C ' ' A' ' 14' ' ' GLY . 32.9 tp -94.27 115.6 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 78.9 t -62.39 151.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.8 pt -160.7 -177.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.1 t -119.71 136.86 25.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.55 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -97.02 -56.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 m -79.68 -56.03 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.22 139.58 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.49 -61.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -45.18 -54.05 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 42' ' ' ILE . 47.6 mm -69.93 62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -52.21 133.73 33.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.59 118.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 157.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -62.83 -38.84 92.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -92.38 23.01 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.59 154.43 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.54 146.96 46.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 108.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 59' ' ' PHE . 28.7 tp -84.98 114.2 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG12 HG22 ' A' ' 33' ' ' VAL . 8.4 m -111.33 153.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NH1' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -111.55 112.23 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -62.67 152.88 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.143 ' CE2' HG22 ' A' ' 16' ' ' VAL . 44.7 m-85 -108.53 16.45 22.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.7 mt -99.85 -64.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -105.93 -12.16 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t 71.36 53.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -114.3 163.56 15.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.651 ' CE2' ' NH1' ' A' ' 52' ' ' ARG . 66.8 m-85 -94.69 118.47 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 62' ' ' ILE . 85.6 m-85 -117.5 151.97 36.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.814 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.85 100.29 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.84 178.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' CG ' ' A' ' 66' ' ' ASP . . . -101.86 136.39 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -55.69 -18.67 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.745 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -101.28 -22.77 14.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 150.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -161.01 137.12 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.36 144.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 72' ' ' ILE . 2.6 p -146.52 143.79 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 25.0 m-20 -104.3 83.93 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.488 HD13 ' N ' ' A' ' 72' ' ' ILE . 4.0 mm -72.64 -39.26 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD21 ' HE3' ' A' ' 94' ' ' LYS . 1.1 mt -69.65 -6.84 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 18.2 t30 -99.64 -3.37 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 86' ' ' LEU . 21.1 mt -75.71 154.32 85.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.42 -29.1 2.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.32 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.6 mt-10 -46.06 -52.79 11.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.882 HD22 ' OG ' ' A' ' 90' ' ' SER . 47.2 mt -53.16 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -44.21 -58.61 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 55.0 p -66.43 -83.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.799 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -49.93 116.02 5.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -45.05 -34.52 4.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 83' ' ' LYS . 25.3 mt -77.99 -53.27 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -38.15 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.66 -55.62 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -45.83 -49.9 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.882 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.1 -49.46 75.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.956 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.486 HG23 HG21 ' A' ' 95' ' ' THR . 12.5 mt -50.29 -42.31 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CD1' HG13 ' A' ' 98' ' ' VAL . 86.3 t80 -71.08 -13.39 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.0 mt -93.36 -9.97 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.68 -53.77 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 91' ' ' ILE . 16.5 p -78.28 -11.85 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm180 37.25 53.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 97' ' ' VAL . 12.3 p -168.63 108.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.26 163.2 14.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 152.97 41.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -50.79 -27.59 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.64 -18.99 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 107.955 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.5 pt-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.949 HD23 ' HD3' ' A' ' 15' ' ' LYS . 12.1 mt -75.47 -51.83 12.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 141.9 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.612 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.74 23.32 68.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.949 ' HD3' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.15 163.65 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.138 HG22 ' CE2' ' A' ' 54' ' ' PHE . 19.1 t -84.89 121.94 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG11 HD22 ' A' ' 12' ' ' LEU . 15.0 m -124.16 168.3 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 78.9 p -103.47 130.99 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.623 HG11 ' HE2' ' A' ' 29' ' ' TYR . 41.0 t -101.75 114.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.4 t -81.99 130.83 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 t -75.91 134.31 40.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.92 60.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.5 p -99.18 -27.2 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.7 tp10 -144.98 81.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.3 mtt180 -37.58 -44.2 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -53.22 -64.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -52.38 124.34 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 42.3 p-90 -143.83 144.71 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 p90 -132.37 147.43 65.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.0 138.1 22.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -147.82 136.02 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 15' ' ' LYS . 17.0 tp -91.22 112.61 24.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 34' ' ' ILE . 68.4 t -58.94 149.96 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.7 pt -159.12 -179.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -123.7 137.78 29.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 67.32 5.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.451 1.763 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -91.87 -59.74 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.09 148.9 45.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -53.79 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 m-20 -53.99 -34.48 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.15 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m -83.41 108.27 16.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.71 127.38 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -169.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -89.11 -41.97 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.32 25.47 3.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 62.5 mt-30 -126.61 164.49 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.72 149.07 30.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 59' ' ' PHE . 62.8 tp -86.7 128.39 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 7.6 m -126.47 174.2 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -132.62 103.53 6.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -62.14 136.83 58.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.138 ' CE2' HG22 ' A' ' 16' ' ' VAL . 70.9 m-85 -89.6 21.81 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 78.9 mt -100.51 -63.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 56.4 t0 -102.95 -20.15 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 3.6 p 78.74 39.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -106.01 179.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.641 ' HB3' HD11 ' A' ' 50' ' ' LEU . 68.2 m-85 -105.69 136.53 45.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.647 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.0 m-85 -139.81 150.58 44.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.816 ' C ' HD13 ' A' ' 62' ' ' ILE . 7.3 t -117.64 105.13 11.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.816 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.52 178.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -98.59 136.22 39.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -56.74 -17.9 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -14.12 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -99.82 -12.36 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.3 mt -96.73 144.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 144.06 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.25 147.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 3.7 p -147.04 147.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -112.52 86.52 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.571 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.5 mm -77.84 -41.44 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 73' ' ' LEU . 1.1 mt -71.48 -6.73 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -103.3 0.74 31.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.542 HD13 HD13 ' A' ' 86' ' ' LEU . 34.1 mt -80.71 154.32 73.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.165 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.26 31.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -52.47 -20.43 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -65.18 -48.2 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mm-40 -67.68 -46.21 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.612 HD22 ' OG ' ' A' ' 90' ' ' SER . 33.4 mt -64.14 -54.75 28.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 45.1 t -48.13 -23.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 78' ' ' SER . 81.7 p -106.23 -85.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.21 122.22 1.3 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -48.72 -53.95 15.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 30' ' ' PRO . 58.1 mt -56.36 -56.9 15.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -36.03 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -61.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.15 -49.52 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.42 -48.74 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 95' ' ' THR . 9.4 mt -48.2 -46.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CD1' HG13 ' A' ' 98' ' ' VAL . 82.2 t80 -68.84 -14.37 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mt -91.5 -9.91 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.39 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.065 . . . . 0.0 109.244 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' ILE . 44.7 p -84.55 -37.09 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 63.59 37.53 10.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 97' ' ' VAL . 6.1 p -155.12 101.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.582 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.01 163.15 14.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -74.99 150.02 37.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.03 -28.14 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.47 -26.69 43.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 8.5 m0 . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.7 pt-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.419 HD23 ' HE2' ' A' ' 15' ' ' LYS . 39.3 mt -85.43 -51.03 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -47.95 152.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.603 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 50.11 21.6 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -134.95 149.66 50.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.717 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.064 HG22 ' CE2' ' A' ' 54' ' ' PHE . 51.4 t -73.18 134.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' ALA . 15.9 m -132.95 162.38 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' VAL . 5.3 p -102.59 122.64 44.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 29' ' ' TYR . 8.7 t -93.93 127.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.1 t -92.11 125.17 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 7.4 t -73.94 127.49 33.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.01 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -76.72 -2.17 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.0 OUTLIER -145.14 72.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -50.06 -23.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -82.66 -69.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.34 132.39 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 39.8 p-90 -143.87 146.19 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.893 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -128.71 146.79 61.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.062 . . . . 0.0 110.989 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.851 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.97 144.09 29.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.893 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.39 138.06 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 15' ' ' LYS . 34.2 tp -91.41 126.41 36.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 34' ' ' ILE . 79.0 t -71.27 140.71 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 33' ' ' VAL . 21.1 pt -157.37 -178.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -122.83 144.9 43.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.53 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -55.29 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -71.9 175.03 6.17 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -60.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.4 m-20 -56.25 -40.44 74.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.46 82.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -80.39 120.1 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -99.68 146.02 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -74.17 -170.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -21.02 17.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -93.08 -20.13 20.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -103.86 163.42 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.26 151.59 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.345 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 tp -85.86 121.56 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.55 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.9 m -116.56 160.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -115.66 111.85 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 t -62.25 153.78 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.064 ' CE2' HG22 ' A' ' 16' ' ' VAL . 28.4 m-85 -111.99 9.43 20.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 92.8 mt -94.79 -64.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.0 -12.75 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p 72.26 50.34 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -107.55 172.95 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -104.53 107.96 19.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 62' ' ' ILE . 90.6 m-85 -109.47 152.81 24.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.778 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.68 99.53 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.33 178.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.79 134.86 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -54.27 -19.69 5.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -20.19 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.5 m-20 -92.22 -17.46 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.9 mt -86.85 147.07 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -160.24 139.84 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.5 mt-10 -38.07 144.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 18' ' ' SER . 4.6 p -143.62 148.06 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -111.91 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.942 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -76.59 -41.14 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.639 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.85 -6.33 40.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -104.08 8.87 36.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 86' ' ' LEU . 57.0 mt -89.93 156.04 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.1 Cg_endo -75.09 135.3 18.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -56.52 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 55.4 mm-40 -55.9 -48.76 75.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.56 -54.34 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -51.72 -45.82 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' SER . 72.0 p -81.7 -85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.637 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.58 118.5 2.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.73 -43.39 6.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.851 HD23 ' HG3' ' A' ' 30' ' ' PRO . 48.7 mt -65.99 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -38.3 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -41.72 -59.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.86 -49.66 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.942 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -61.12 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.93 -50.18 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.8 mt -90.97 -11.01 40.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.7 -41.71 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 61.58 36.51 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 97' ' ' VAL . 13.3 p -153.03 106.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.38 163.3 14.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 153.88 41.98 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -44.82 -45.99 10.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -42.77 -28.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' HG11 ' A' ' 98' ' ' VAL . 10.3 m0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.993 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.4 mt -84.34 -42.95 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.85 149.55 34.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 78.4 1.4 81.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.39 168.9 11.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.734 HG11 ' HB1' ' A' ' 89' ' ' ALA . 72.7 t -74.08 139.66 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' ' 33' ' ' VAL . 12.3 m -148.34 161.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 p -99.42 123.15 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 62' ' ' ILE . 41.6 t -93.41 131.27 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.0 t -95.8 127.75 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 6.5 t -78.5 129.15 34.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.76 4.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 t -71.48 -13.7 61.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.458 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -133.16 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.8 mmt180 -42.3 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -75.43 -74.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -47.46 130.87 13.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CH2' HD21 ' A' ' 86' ' ' LEU . 46.7 p-90 -141.92 143.78 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.9 p90 -126.83 150.31 71.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 151.62 40.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.63 137.7 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 14' ' ' GLY . 19.7 tp -91.14 101.73 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.375 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . 94.2 t -54.51 144.7 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 33' ' ' VAL . 10.7 pt -153.81 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -125.99 142.58 42.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.466 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 18.3 Cg_endo -74.98 86.62 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t -102.74 -60.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -59.07 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.504 ' CB ' HD12 ' A' ' 42' ' ' ILE . 3.4 p30 -62.85 171.34 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -147.87 -59.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 4.7 m-20 -46.66 -50.27 17.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.504 HD12 ' CB ' ' A' ' 39' ' ' ASN . 96.7 mt -40.57 98.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -80.52 116.3 20.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -110.74 115.23 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -51.66 179.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -78.06 -37.85 45.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.12 25.19 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.4 155.63 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 155.52 43.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.376 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.0 tp -85.93 141.89 29.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' VAL . 4.9 m -138.91 163.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -121.37 105.64 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -62.28 153.34 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' A' ' 16' ' ' VAL . 64.8 m-85 -109.9 16.1 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.5 mt -101.28 -64.54 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.08 -8.07 17.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 t 63.83 55.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -116.13 169.01 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 55.5 m-85 -101.1 114.53 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 62' ' ' ILE . 76.9 m-85 -116.52 156.73 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -119.92 101.01 7.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.99 178.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.28 137.87 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.07 9.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.63 -18.31 54.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -92.55 -17.91 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.1 mt -84.84 147.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.97 145.1 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -37.66 151.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 72' ' ' ILE . 14.7 p -133.22 163.52 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 5.8 m-20 -119.29 43.85 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.653 HD12 HD22 ' A' ' 86' ' ' LEU . 15.5 mm -48.54 -61.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.3 mt -67.61 -7.86 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 2.7 m-80 -106.52 10.64 31.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.559 HD22 ' OE1' ' A' ' 79' ' ' GLU . 18.2 mt -91.64 157.29 42.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.73 24.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -26.73 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 82' ' ' THR . 0.6 OUTLIER -57.56 -56.9 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE1' HD22 ' A' ' 75' ' ' LEU . 7.8 mt-10 -59.1 -56.02 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.417 HD22 ' OG ' ' A' ' 90' ' ' SER . 49.3 mt -47.34 -59.68 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 t -45.59 -52.32 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 78' ' ' SER . 68.6 p -75.01 -86.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.712 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.51 116.75 1.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.63 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -49.78 -48.04 37.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 ' CB ' ' A' ' 83' ' ' LYS . 62.3 mt -58.57 -65.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -35.22 -66.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -45.17 -65.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.734 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -44.08 -42.9 6.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -62.08 -48.8 78.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 95' ' ' THR . 9.7 mt -49.01 -43.04 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.497 ' HD2' HG23 ' A' ' 16' ' ' VAL . 84.6 t80 -71.02 -14.52 62.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 72' ' ' ILE . 6.6 mt -91.3 -10.53 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.75 -41.75 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.6 p -85.78 -39.13 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 4.5 mmm180 65.24 35.32 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 97' ' ' VAL . 7.3 p -151.82 103.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -61.86 162.86 14.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASN . 18.5 Cg_endo -75.04 144.14 29.76 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.445 1.761 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -24.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 99' ' ' PRO . 29.5 m-20 -55.31 -33.01 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 18.6 m0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.041 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.8 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.924 HD23 ' HE3' ' A' ' 15' ' ' LYS . 10.7 mt -74.55 -46.94 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 140.97 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.593 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 62.32 26.6 68.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.924 ' HE3' HD23 ' A' ' 12' ' ' LEU . 1.3 tttt -136.25 152.07 50.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.091 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.9 t -72.37 136.22 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 12' ' ' LEU . 14.9 m -136.71 159.7 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -98.99 122.31 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.604 HG11 ' HE1' ' A' ' 29' ' ' TYR . 31.1 t -94.69 122.58 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.9 t -85.37 130.8 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -68.8 137.22 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -60.39 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 23' ' ' THR . 26.7 m -90.13 22.13 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -163.45 62.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -41.22 -38.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -59.73 -73.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.5 130.8 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.201 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.88 143.96 31.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 108.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.822 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.05 147.12 64.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.63 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 146.71 33.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -159.09 138.47 11.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.593 HD11 ' C ' ' A' ' 14' ' ' GLY . 30.8 tp -91.28 118.27 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 34' ' ' ILE . 99.9 t -69.12 146.46 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' VAL . 14.2 pt -153.61 -173.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -125.92 127.26 24.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.053 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 t -102.26 -56.22 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.56 -58.5 3.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -48.87 122.01 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -111.35 -59.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -45.37 -55.33 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 42' ' ' ILE . 7.2 mt -70.94 60.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 t -65.8 142.65 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 50' ' ' LEU . 89.6 t -113.32 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -55.66 -170.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -33.77 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.73 22.13 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -138.9 162.2 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -138.93 151.07 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.321 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 44' ' ' VAL . 23.9 tp -84.93 116.03 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -111.83 155.3 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 ttt180 -114.56 116.52 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -63.43 153.65 34.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.091 ' CE2' HG22 ' A' ' 16' ' ' VAL . 29.0 m-85 -110.43 8.96 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 94.6 mt -93.88 -64.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 57' ' ' SER . 19.2 t70 -105.45 -20.13 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.2 m 82.57 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.03 154.13 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -91.69 119.5 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB3' HD11 ' A' ' 62' ' ' ILE . 84.3 m-85 -121.54 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.813 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.32 100.71 7.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.813 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.24 178.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.74 137.02 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -31.62 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.1 -27.84 67.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.732 ' OD2' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -86.8 -24.96 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.75 139.35 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.88 137.78 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -38.62 142.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.0 p -138.35 154.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.225 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.11 86.94 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.83 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -83.23 -40.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.655 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.0 -5.42 31.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 21.8 m-80 -107.96 12.29 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 86' ' ' LEU . 23.8 mt -87.93 154.83 52.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 144.47 29.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -22.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.88 -49.51 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' LYS . 64.3 mm-40 -65.92 -47.04 76.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.84 -55.65 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.1 t -50.8 -38.65 49.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 78' ' ' SER . 61.1 p -89.2 -88.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 110.444 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -41.47 117.96 1.74 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -53.43 -53.24 36.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 75' ' ' LEU . 84.5 mt -55.01 -59.63 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -61.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.14 -49.16 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.83 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -63.46 -46.34 86.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 95' ' ' THR . 9.4 mt -49.07 -46.67 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.12 -13.97 62.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 mt -90.69 -12.34 37.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.655 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -114.68 -44.06 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.355 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.41 HG21 HG23 ' A' ' 91' ' ' ILE . 53.1 p -82.22 -31.98 30.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 55.37 42.77 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 97' ' ' VAL . 14.8 p -162.12 112.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.717 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -70.16 163.16 64.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.5 Cg_endo -74.85 150.18 38.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -50.38 -23.09 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -62.92 -26.38 68.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.717 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.3 m0 . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.6 pt-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' LYS . 48.7 mt -86.2 -49.43 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.58 143.0 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.722 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.44 19.1 72.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.18 158.17 39.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 0.803 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 54' ' ' PHE . 33.1 t -73.84 137.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 70' ' ' VAL . 11.1 m -139.97 162.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.1 p -100.19 130.23 46.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 67' ' ' ILE . 39.7 t -103.52 123.65 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.5 t -85.85 126.36 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.26 130.2 37.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -24.14 63.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 m -85.28 -22.74 28.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.04 86.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -39.44 -47.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -49.85 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.453 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.82 129.31 22.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -143.08 144.47 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 107.995 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -130.54 145.6 58.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -74.96 145.1 31.18 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.881 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.18 139.44 13.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.2 tp -91.79 115.31 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -61.2 144.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 33' ' ' VAL . 12.9 pt -160.27 175.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 70.3 p -124.38 139.92 33.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.03 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -59.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.093 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -61.58 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -42.94 136.94 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.47 -61.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -45.3 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.6 90.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -73.69 114.77 12.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HG3' ' A' ' 36' ' ' PRO . 77.5 t -106.15 114.15 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -53.87 167.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.47 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.27 24.16 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.87 163.72 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.69 153.42 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.23 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ILE . 39.2 tp -86.19 128.05 34.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.525 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -127.75 164.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 6.6 ttt180 -122.53 111.91 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -61.99 151.99 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.167 ' CE2' HG22 ' A' ' 16' ' ' VAL . 38.9 m-85 -108.44 13.05 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -99.14 -64.09 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 57' ' ' SER . 10.8 t0 -102.44 -22.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.9 p 82.89 43.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.1 177.84 4.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.33 115.39 27.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.0 m-85 -120.44 152.14 38.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.64 1.212 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.809 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -116.95 105.53 12.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.809 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.05 178.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -96.68 130.83 43.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -21.48 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 1.8 ptpp? -74.18 -31.23 62.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 m-20 -80.09 -14.5 58.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 19' ' ' VAL . 18.5 mt -93.74 150.49 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.694 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -155.68 146.17 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.42 142.81 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 17' ' ' VAL . 6.9 p -142.03 151.98 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 28.9 m-20 -117.08 81.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.589 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.8 mm -68.25 -38.48 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.718 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.6 mt -67.59 -8.93 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 5.4 m-20 -99.71 9.2 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD13 HD13 ' A' ' 86' ' ' LEU . 71.5 mt -90.51 154.07 46.16 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.409 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.3 Cg_endo -74.98 144.65 30.58 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.434 1.755 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -27.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.67 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.948 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -52.78 -39.2 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.8 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -44.43 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' SER . 39.4 p -64.23 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.0 117.7 1.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.17 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.57 -23.21 42.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 83' ' ' LYS . 31.3 mt -92.77 -33.58 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -57.52 -74.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -50.69 51.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -42.81 -57.96 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.589 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.28 -46.64 87.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -48.67 -47.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.75 -14.39 62.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -91.29 -10.52 41.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.718 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.12 -44.36 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -82.32 -28.96 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 56.99 42.12 26.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 97' ' ' VAL . 9.7 p -162.6 110.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.637 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.37 163.1 15.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 151.71 40.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -21.81 3.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.73 -9.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CE3' HG11 ' A' ' 98' ' ' VAL . 13.0 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.0 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 15' ' ' LYS . 60.3 mt -71.49 -54.06 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -43.55 143.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.601 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 58.36 18.01 34.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -135.59 151.03 49.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 54' ' ' PHE . 97.2 t -74.19 142.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.1 m -142.18 162.34 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 8.2 p -98.88 122.63 42.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 67' ' ' ILE . 92.3 t -100.36 120.65 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 66' ' ' ASP . 28.8 t -75.75 119.78 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 1.4 m -54.65 125.3 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.087 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.73 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -90.72 -9.7 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -138.73 104.1 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -65.04 -13.91 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -96.1 -78.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' HG22 ' A' ' 26' ' ' THR . 2.6 mm-40 -38.49 134.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.66 144.26 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.866 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -124.39 146.44 52.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.03 143.87 29.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.866 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -155.92 140.71 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.8 tp -92.56 114.29 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 71.8 t -65.03 145.52 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.6 pt -154.82 -173.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 t -126.11 132.94 24.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.18 -49.68 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.65 -54.44 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -64.14 152.64 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 -58.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.11 -52.69 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 42' ' ' ILE . 36.4 mm -71.17 60.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -57.78 144.97 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 49' ' ' CYS . 74.7 t -112.61 129.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -83.37 -33.73 25.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 24.03 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -131.93 162.29 31.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.434 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -149.79 149.23 30.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 tp -85.06 123.11 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.2 m -121.6 155.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HB3' ' CZ3' ' A' ' 102' ' ' TRP . 4.3 ttt180 -112.56 106.96 15.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 153.77 29.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.095 ' CE2' HG22 ' A' ' 16' ' ' VAL . 53.5 m-85 -109.67 13.98 23.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.9 mt -97.89 -64.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -106.26 -11.9 15.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m 69.6 51.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -110.59 160.22 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 49.0 m-85 -95.66 108.25 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -115.57 152.77 32.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -117.12 108.27 15.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -116.02 178.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.11 134.54 42.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -18.78 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 13.8 ptpt -78.7 -15.2 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -96.12 -18.23 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.373 1.045 . . . . 0.0 109.218 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 19' ' ' VAL . 19.5 mt -90.18 148.0 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' CE ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -153.94 144.14 22.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.6 146.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.1 p -145.3 147.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -117.57 81.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.718 HD12 HD22 ' A' ' 86' ' ' LEU . 4.9 mm -70.18 -43.09 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 73' ' ' LEU . 5.0 mt -69.11 -6.89 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -108.62 12.35 25.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 86' ' ' LEU . 28.9 mt -94.28 158.22 36.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.07 34.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -27.06 22.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.67 -45.92 84.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.6 mt-10 -69.02 -47.36 65.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.676 HD22 ' OG ' ' A' ' 90' ' ' SER . 40.8 mt -59.27 -51.87 68.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 t -54.01 -44.2 70.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.792 HG23 ' O ' ' A' ' 78' ' ' SER . 72.7 p -83.51 -85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.97 112.56 0.93 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.94 8.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.412 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -68.88 -41.83 80.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 72' ' ' ILE . 87.1 mt -66.17 -52.73 45.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.17 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.96 -50.12 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.45 -50.45 59.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.676 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.97 -47.54 85.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 95' ' ' THR . 9.9 mt -48.63 -46.49 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 64.7 t80 -68.88 -12.63 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -93.52 -11.42 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.14 -52.57 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 12.8 p -79.46 -9.76 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 95' ' ' THR . 4.8 mmm-85 37.48 52.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 14.2 p -169.61 111.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.667 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -62.31 162.89 16.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.11 152.05 39.78 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.501 1.79 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -45.26 -35.59 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -50.57 -43.33 56.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.667 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.3 m95 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.6 pt-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 17.0 mt -77.96 -50.57 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 142.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.634 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.26 12.11 49.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.713 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tttt -132.89 152.77 51.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.8 t -73.0 147.15 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' ALA . 14.4 m -145.28 166.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 66.8 p -104.61 128.93 52.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.681 HG11 ' HE1' ' A' ' 29' ' ' TYR . 6.8 t -100.91 125.29 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.2 t -90.69 128.07 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.8 136.58 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.93 -18.43 59.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 m -92.93 -23.06 18.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.81 90.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -44.46 -36.09 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -68.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.27 127.92 18.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 70' ' ' VAL . 37.7 p-90 -143.75 145.48 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.806 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -129.93 147.66 66.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.876 ' HD2' HD11 ' A' ' 55' ' ' ILE . 18.3 Cg_endo -74.94 149.54 37.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.03 135.47 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 15' ' ' LYS . 51.0 tp -91.35 118.55 30.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.0 t -58.63 146.12 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.2 pt -154.58 -171.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -128.32 146.71 60.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -54.94 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.74 -60.3 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -47.32 144.98 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 -55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' THR . 37.9 m-20 -43.41 -55.38 4.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 42' ' ' ILE . 4.3 mt -70.33 61.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' ASP . 3.2 m -56.02 142.35 36.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.6 t -103.13 155.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -109.38 -156.45 0.59 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -94.69 -24.47 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.79 20.65 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -139.79 155.2 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 154.25 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' A' ' 59' ' ' PHE . 25.3 tp -86.01 149.25 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.8 m -146.8 163.79 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 3.8 tpp180 -116.25 108.64 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -65.84 153.21 42.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 16' ' ' VAL . 51.0 m-85 -111.8 6.26 19.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.613 1.196 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.876 HD11 ' HD2' ' A' ' 30' ' ' PRO . 5.0 mp -94.17 -64.61 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -99.18 -9.12 24.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.393 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p 64.95 43.6 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -115.05 173.2 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 50' ' ' LEU . 89.1 m-85 -96.32 147.46 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.795 ' HB3' HD11 ' A' ' 62' ' ' ILE . 71.0 m-85 -148.39 148.63 30.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.56 101.83 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.86 178.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -97.79 134.07 41.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -23.54 6.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -23.58 61.89 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -87.34 -22.81 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 19' ' ' VAL . 13.9 mt -86.54 141.29 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.0 141.56 17.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.234 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -37.99 148.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 7.2 p -144.94 148.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.7 m-20 -109.09 85.2 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.3 mm -77.51 -46.68 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.662 HD21 ' HG2' ' A' ' 94' ' ' LYS . 8.1 mt -64.9 -10.17 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 51.3 t30 -100.98 12.09 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 86' ' ' LEU . 59.5 mt -92.17 153.63 43.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -25.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.84 -52.46 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.569 ' OE2' HD22 ' A' ' 75' ' ' LEU . 3.4 mt-10 -60.26 -51.14 70.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -53.46 -55.81 22.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -50.16 -51.73 41.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 78' ' ' SER . 70.9 p -74.31 -84.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.3 124.38 1.74 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.19 -51.61 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 75' ' ' LEU . 74.0 mt -50.5 -49.25 56.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -50.2 -57.56 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.21 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -39.57 -56.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.045 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 95' ' ' THR . 9.6 mt -49.12 -43.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CD1' HG13 ' A' ' 98' ' ' VAL . 73.5 t80 -70.31 -14.27 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.3 mt -91.98 -10.64 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.662 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.51 -50.57 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' VAL . 33.2 p -79.48 -12.17 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 1.9 mmm-85 37.28 51.12 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 97' ' ' VAL . 9.6 p -168.86 106.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.723 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.23 163.08 15.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.39 42.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.16 -35.03 10.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -52.25 -25.46 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.786 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 m0 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -147.15 -59.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 43.27 78.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.66 126.72 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.45 89.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 p -84.82 102.6 13.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.68 63.08 1.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt 47.35 94.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -79.34 137.77 37.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.61 168.72 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 9.2 pt-20 -101.45 -43.6 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.1 mt -89.45 -44.32 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.05 148.99 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.716 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 78.89 1.46 84.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -123.56 164.39 19.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.052 HG22 ' CE2' ' A' ' 54' ' ' PHE . 29.2 t -73.66 139.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.0 m -142.2 158.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -99.63 124.63 45.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.6 t -97.54 127.49 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.1 t -89.17 126.03 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 143.8 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.52 -24.58 34.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.068 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -87.56 -17.63 31.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -157.63 90.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -46.24 -25.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -68.56 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.45 129.79 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CH2' HD21 ' A' ' 86' ' ' LEU . 35.8 p-90 -143.48 145.79 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.8 147.18 64.45 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.97 148.76 35.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.799 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -161.25 135.71 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD11 ' C ' ' A' ' 14' ' ' GLY . 27.1 tp -91.32 101.45 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 34' ' ' ILE . 42.0 t -49.14 150.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.0 pt -163.63 177.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 t -116.83 146.68 38.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.72 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.27 -60.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.63 -63.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -53.16 132.39 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.62 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -51.12 -41.78 60.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.7 mm -47.38 95.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.8 m -84.13 116.52 22.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.71 116.67 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 168.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.87 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.11 24.52 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -126.92 162.25 26.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.246 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 151.2 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.0 tp -85.85 139.03 31.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.543 HG12 HG22 ' A' ' 33' ' ' VAL . 14.2 m -135.6 164.53 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.379 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 8.3 ttt180 -118.67 109.66 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 t -62.58 154.33 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.052 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.9 m-85 -111.72 12.15 21.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 98.3 mt -101.41 -64.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.16 -7.93 17.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t 64.38 49.34 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -107.47 160.04 15.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -94.43 110.4 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.678 ' HB3' HD11 ' A' ' 62' ' ' ILE . 87.8 m-85 -113.11 155.14 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.793 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.95 100.65 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.062 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.793 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.94 178.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.27 135.7 41.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.5 mmm180 -56.5 -17.66 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -14.01 58.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.747 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -96.0 -16.54 21.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 64' ' ' ARG . 31.1 mt -88.59 157.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -168.77 135.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -38.27 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 72' ' ' ILE . 5.6 p -146.52 163.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.9 OUTLIER -119.56 82.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.559 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.7 mm -79.62 -40.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -75.12 -2.32 27.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.73 -7.42 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 72' ' ' ILE . 19.1 mt -68.13 157.03 88.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.22 40.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.4 OUTLIER -58.46 -20.32 44.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -69.69 -44.2 70.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' LYS . 67.1 mm-40 -70.27 -46.22 64.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' OG ' ' A' ' 90' ' ' SER . 26.3 mt -65.02 -55.64 17.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 42.9 t -46.63 -24.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -105.91 -87.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.697 ' CB ' HD12 ' A' ' 86' ' ' LEU . 2.2 mptp? -39.85 120.28 1.44 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.568 1.825 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.27 -31.11 1.35 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 ' CB ' ' A' ' 83' ' ' LYS . 86.2 mt -79.54 -61.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -38.73 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.86 -54.74 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.51 -51.73 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.651 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -58.81 -48.01 82.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -49.14 -45.04 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CD1' HG13 ' A' ' 98' ' ' VAL . 47.6 t80 -69.28 -13.93 62.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.65 -10.08 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.69 -47.27 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 97' ' ' VAL . 43.6 p -82.17 -14.34 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 40.4 48.54 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.592 HG23 HG12 ' A' ' 106' ' ' ILE . 10.9 p -162.14 106.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.33 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 157.33 42.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.25 -17.96 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.2 -16.33 63.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.7 m0 -101.06 -54.89 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 107.957 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 55.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.493 ' HB2' HG21 ' A' ' 98' ' ' VAL . 60.4 tpp -61.75 -69.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 176.68 39.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.592 HG12 HG23 ' A' ' 97' ' ' VAL . 0.7 OUTLIER -147.85 -47.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.9 p -45.49 -30.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.77 -33.46 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 106' ' ' ILE . 87.5 mt -61.24 -20.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -71.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.39 178.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.243 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -79.63 74.28 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.42 -157.68 25.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.0 t -175.61 77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.55 146.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.626 1.204 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m 63.84 113.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.39 153.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.99 150.87 0.63 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -166.25 115.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 0.749 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m 61.75 156.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.85 -122.31 0.78 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.37 82.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 0.743 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.37 -69.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.513 ' OD2' HD23 ' A' ' 13' ' ' LEU . 1.2 t70 -176.36 168.77 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.79 -60.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 69' ' ' GLU . 11.2 mt -76.36 -48.57 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -72.15 149.09 45.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.685 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 80.92 0.04 87.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -124.48 164.32 19.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.914 HG22 ' CE2' ' A' ' 54' ' ' PHE . 53.9 t -73.77 135.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' ALA . 6.9 m -134.45 164.6 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.544 ' HB3' HG21 ' A' ' 70' ' ' VAL . 4.6 p -104.34 120.05 40.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 58.7 t -90.9 135.95 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 66' ' ' ASP . 20.3 t -100.18 127.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 3.6 t -76.46 128.96 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -72.08 -8.69 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 2.2 mt-10 -138.25 58.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' SER . 7.0 mtt-85 -41.05 -28.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -73.46 -73.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.22 133.12 12.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 43.7 p-90 -142.66 141.25 31.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.772 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 p90 -124.56 149.42 61.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.677 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.92 151.05 39.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.74 135.95 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.685 HD11 ' C ' ' A' ' 14' ' ' GLY . 49.4 tp -91.1 114.41 26.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 17' ' ' VAL . 81.5 t -65.23 151.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.594 HD13 ' HE ' ' A' ' 52' ' ' ARG . 3.2 pt -151.92 -172.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 t -126.84 128.77 24.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.81 3.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -102.51 -52.9 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -67.5 138.34 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.44 -61.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 6.9 m-20 -45.25 -44.2 11.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mm -48.29 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.1 m -90.31 117.29 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -110.18 128.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.87 178.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.19 -2.91 58.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.5 24.81 7.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt-30 -134.97 162.55 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.73 128.38 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -129.33 159.26 41.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -115.51 111.76 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 t -66.66 152.43 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.914 ' CE2' HG22 ' A' ' 16' ' ' VAL . 41.9 m-85 -110.5 12.32 22.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 77.2 mt -102.26 -64.48 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -99.17 -9.42 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.6 p 64.38 44.39 4.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -112.04 164.59 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -97.87 118.53 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.8 m-85 -119.88 152.53 37.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 6.8 t -116.89 106.68 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.49 178.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.09 136.24 38.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.04 -22.86 4.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -70.95 -27.11 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -83.77 -24.33 31.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.3 mt -84.6 140.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.67 144.55 19.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 12' ' ' LEU . 8.3 mt-10 -37.92 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 18' ' ' SER . 3.3 p -145.57 156.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -120.66 78.43 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.496 HD12 HD22 ' A' ' 86' ' ' LEU . 4.3 mm -73.18 -43.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 73' ' ' LEU . 2.7 mt -71.99 -5.22 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -106.75 6.67 29.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 86' ' ' LEU . 20.1 mt -87.06 156.54 54.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 137.61 21.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.0 -29.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -57.29 -47.51 81.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LYS . 66.1 mm-40 -65.99 -48.72 70.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.795 HD22 ' OG ' ' A' ' 90' ' ' SER . 41.5 mt -57.87 -55.03 40.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -47.71 -35.72 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 78' ' ' SER . 71.5 p -93.07 -86.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.674 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.59 117.72 1.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.448 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -51.63 -42.87 52.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 30' ' ' PRO . 27.1 mt -70.54 -54.26 12.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -37.66 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -55.73 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.665 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -43.71 -53.04 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.795 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.5 -49.62 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.05 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -49.04 -48.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 2.7 t80 -65.76 -14.12 60.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -92.06 -9.93 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.53 -48.52 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 26.4 p -81.47 -10.8 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 37.93 34.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 5.5 p -137.86 101.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.23 163.44 14.04 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 151.99 40.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -30.4 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.87 -27.91 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.725 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.6 m0 -98.53 -60.66 1.5 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 108.041 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 78.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.4 mtt -92.36 75.07 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.04 -55.61 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 106' ' ' ILE . 1.5 tt -84.62 -20.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -63.76 -15.54 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -107.35 -24.75 11.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.77 -16.76 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mt -45.24 -63.87 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -179.95 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 171.49 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.78 165.06 11.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 114.65 4.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.1 p -162.54 -63.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.11 149.35 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.394 1.059 . . . . 0.0 111.003 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.89 86.95 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -172.97 99.27 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.428 1.08 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.09 85.11 1.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -146.38 149.03 32.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 0.736 . . . . 0.0 110.085 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -169.32 -62.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.7 -74.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 mt 72.05 -73.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -123.43 111.4 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 1.1 m-20 62.32 128.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -87.86 -40.08 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 mt -86.71 -35.52 19.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -77.76 150.34 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 67.0 13.29 61.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.48 160.07 32.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 0.761 . . . . 0.0 109.353 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 54' ' ' PHE . 8.1 t -79.24 142.3 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.6 m -142.37 157.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 26.7 p -99.56 128.5 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.8 t -99.57 132.48 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.2 t -94.79 129.66 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.6 121.07 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -19.47 64.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 m -96.86 -12.72 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -160.39 82.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.0 mmt85 -42.27 -35.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -58.0 -72.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -49.73 128.38 17.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 38.6 p-90 -143.78 145.53 32.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.716 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.16 148.09 68.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.01 151.7 39.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.77 137.02 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 15' ' ' LYS . 40.3 tp -91.18 110.99 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -53.59 147.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 33' ' ' VAL . 24.5 pt -154.62 -177.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -124.12 142.16 39.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -52.28 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -52.34 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -45.99 133.17 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -129.73 -56.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -45.27 -56.04 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 42' ' ' ILE . 44.6 mm -70.3 61.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -55.48 113.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 48' ' ' GLN . 78.8 t -77.84 137.4 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -80.28 -153.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -97.83 -34.03 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.55 23.0 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mt-30 -134.77 147.74 50.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 151.88 45.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.238 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.76 125.93 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.5 m -118.84 172.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 2.9 ttt180 -126.51 106.24 9.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -62.12 153.8 28.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.105 ' CE2' HG22 ' A' ' 16' ' ' VAL . 50.9 m-85 -110.08 14.62 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 79.0 mt -100.66 -63.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -105.38 -12.53 15.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 69.33 47.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.03 163.86 12.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -99.17 114.93 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 62' ' ' ILE . 64.0 m-85 -120.54 151.89 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.817 ' C ' HD13 ' A' ' 62' ' ' ILE . 3.9 t -117.9 103.19 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.81 178.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.49 134.81 40.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.6 mmm180 -49.87 -22.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -70.29 -42.67 71.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -69.15 -20.68 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 19' ' ' VAL . 39.0 mt -89.15 150.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.9 138.13 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.0 tm-20 -37.84 149.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.77 150.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -107.2 84.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.7 mm -79.09 -40.9 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 73' ' ' LEU . 3.7 mt -72.43 -5.52 37.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.45 12.19 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.718 HD13 HD13 ' A' ' 86' ' ' LEU . 29.6 mt -87.89 156.08 52.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.09 29.72 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 -22.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -59.39 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' LYS . 9.3 mt-10 -53.65 -46.97 70.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' OG ' ' A' ' 90' ' ' SER . 22.7 mt -64.53 -50.03 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 t -53.04 -20.31 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -113.53 -88.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.15 117.43 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.01 -38.64 31.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 30' ' ' PRO . 81.4 mt -73.3 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -36.58 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -63.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.19 -49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.622 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -60.98 -47.28 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 95' ' ' THR . 11.8 mt -49.92 -42.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.388 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.83 -13.06 61.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.609 1.193 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.7 mt -92.9 -10.83 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.64 -50.25 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 HG23 ' A' ' 91' ' ' ILE . 31.0 p -79.67 -15.93 56.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 41.07 48.55 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 97' ' ' VAL . 12.9 p -163.53 109.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.467 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.31 163.04 15.55 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.97 155.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.69 -26.58 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.98 -36.69 72.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m0 -75.99 -60.87 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.88 60.22 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.7 mtt -86.4 161.56 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -177.63 37.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.518 HD12 HD12 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -96.06 -29.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.7 p -53.68 -26.69 23.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.68 -24.71 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.518 HD12 HD12 ' A' ' 106' ' ' ILE . 95.8 mt -65.08 -21.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 7.1 mt -123.43 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 110' ' ' LEU . 7.0 pt-20 47.52 -170.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.38 174.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.53 -145.13 9.13 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.2 33.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.2 -60.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m 51.61 80.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.72 -57.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 0.0 109.915 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.41 114.75 22.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 82.77 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -136.6 92.01 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -156.84 124.74 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.77 126.46 2.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.45 113.37 9.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -147.3 98.18 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.815 ' CG ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER 62.56 130.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HG3' HD23 ' A' ' 12' ' ' LEU . 8.5 pt-20 -103.21 -38.43 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.532 HD21 ' OE2' ' A' ' 69' ' ' GLU . 38.0 mt -77.18 -34.96 56.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.815 HD23 ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -78.98 147.75 32.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.765 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 78.58 3.5 86.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.74 166.62 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.108 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.1 t -73.25 134.92 28.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.9 m -139.92 158.32 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.526 ' OG ' ' CE3' ' A' ' 28' ' ' TRP . 43.8 t -99.09 134.79 41.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.686 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.7 t -109.05 124.84 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.8 t -82.33 124.22 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 137.59 53.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.1 62.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -78.52 -25.66 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.63 94.34 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' O ' HG13 ' A' ' 20' ' ' VAL . 15.7 mmt180 -44.73 -40.28 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -57.34 -68.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -46.2 131.1 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.165 . . . . 0.0 110.358 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CE3' ' OG ' ' A' ' 18' ' ' SER . 42.2 p-90 -143.89 144.66 31.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -130.28 145.59 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.802 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.99 147.56 34.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.853 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -160.12 138.77 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD11 ' C ' ' A' ' 14' ' ' GLY . 36.1 tp -94.91 104.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 34' ' ' ILE . 51.0 t -53.49 148.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.8 pt -160.14 -176.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 t -123.77 129.53 24.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -52.87 62.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 -61.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 108.348 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -48.68 147.66 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -140.85 -54.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -50.46 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.543 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.2 mp -70.19 61.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -52.34 143.79 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 49' ' ' CYS . 53.1 t -114.62 132.26 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 166.99 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.15 64.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.71 24.39 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.41 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -132.6 161.75 33.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -152.12 147.64 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.265 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 59' ' ' PHE . 12.7 tp -85.1 123.68 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.624 HG12 HG22 ' A' ' 33' ' ' VAL . 16.3 m -117.67 160.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.513 ' HD3' ' CE3' ' A' ' 102' ' ' TRP . 11.1 ttt180 -112.48 110.11 20.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -62.53 154.33 29.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.108 ' CE2' HG22 ' A' ' 16' ' ' VAL . 35.6 m-85 -111.9 9.28 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.439 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.0 mt -96.65 -64.78 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.56 -10.51 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.421 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 9.6 p 67.98 50.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.6 -179.27 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.448 ' HB3' HD11 ' A' ' 50' ' ' LEU . 94.4 m-85 -113.38 117.07 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 62' ' ' ILE . 92.0 m-85 -119.08 156.22 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.799 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -118.72 99.47 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.29 178.74 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.478 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -101.08 134.57 43.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.0 mtm180 -54.11 -20.56 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 pttt -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -79.28 -18.69 52.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 64' ' ' ARG . 24.9 mt -85.94 145.62 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.74 136.16 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE2' HD21 ' A' ' 12' ' ' LEU . 13.6 mt-10 -38.75 146.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HG12 ' A' ' 72' ' ' ILE . 6.0 p -146.56 147.98 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.1 m-20 -105.95 81.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.815 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.0 mm -76.22 -37.8 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -73.75 -2.52 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 24.0 t30 -103.13 -10.13 19.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 86' ' ' LEU . 46.7 mt -65.46 153.39 90.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.01 33.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -22.7 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.48 -48.25 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 57.8 mm-40 -66.22 -43.94 85.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.543 HD22 ' OG ' ' A' ' 90' ' ' SER . 45.8 mt -64.42 -59.66 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -44.31 -26.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 78' ' ' SER . 47.4 p -103.05 -88.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.616 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.9 117.04 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -54.71 -42.45 77.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.802 HD23 ' HG3' ' A' ' 30' ' ' PRO . 20.3 mt -71.28 -51.32 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.87 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.77 -45.79 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HG21 ' A' ' 72' ' ' ILE . . . -57.01 -48.58 78.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.815 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -64.42 -46.59 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -47.55 -49.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 27.1 t80 -66.71 -13.14 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.1 mt -93.04 -9.97 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.688 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.87 -50.61 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.45 HG21 HG23 ' A' ' 91' ' ' ILE . 18.5 p -78.89 -28.3 44.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 10.4 mmm180 56.49 40.68 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.28 101.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.644 HG21 ' HG3' ' A' ' 104' ' ' MET . 0.2 OUTLIER -62.24 163.13 15.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.0 Cg_endo -75.07 150.65 38.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.01 -24.79 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.187 . . . . 0.0 109.35 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.84 -16.29 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.513 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 8.9 m0 -102.48 -59.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 58.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.644 ' HG3' HG21 ' A' ' 98' ' ' VAL . 1.9 mmt -50.47 -179.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.68 -46.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 109' ' ' ILE . 1.9 tt -88.49 -36.92 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.53 -26.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.32 -29.84 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.249 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' ILE . 50.3 mt -66.37 -16.52 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mt -79.75 -61.23 2.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 134.72 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.9 111.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.04 157.28 27.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.22 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.547 1.814 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.99 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -56.24 164.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -152.35 97.01 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -61.5 154.99 23.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 -62.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -41.64 157.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 0.743 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m 66.46 104.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.64 153.8 9.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -106.29 161.84 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -117.29 155.05 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -129.9 158.09 40.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.13 -38.54 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -89.8 -36.43 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -81.37 149.03 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.718 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.45 1.54 76.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.57 170.0 10.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 54' ' ' PHE . 88.9 t -74.02 146.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.456 HG21 HG21 ' A' ' 67' ' ' ILE . 8.2 m -150.24 163.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.02 116.38 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 29' ' ' TYR . 55.0 t -90.87 119.57 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.6 t -83.61 125.98 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -68.57 125.1 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.37 64.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.3 m -77.02 -7.84 56.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -142.2 80.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.33 -20.33 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -82.43 -80.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.29 133.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.286 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CH2' HD21 ' A' ' 86' ' ' LEU . 45.5 p-90 -143.8 141.28 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.2 p90 -126.11 148.66 64.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.03 149.27 36.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.54 138.93 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 14' ' ' GLY . 17.0 tp -91.29 111.13 22.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 83.3 t -64.0 141.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.4 pt -159.13 -175.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -124.09 147.64 55.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.573 1.828 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -60.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.38 -63.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.73 118.92 2.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -103.03 -58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.87 -49.26 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.1 mm -40.37 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -84.28 114.83 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.73 128.67 66.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -64.24 -170.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -87.52 -39.13 15.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 24.91 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -125.32 153.53 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.83 149.62 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' ILE . 31.0 tp -85.6 113.77 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG12 HG22 ' A' ' 33' ' ' VAL . 5.2 m -111.77 156.22 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 4.2 ttt180 -115.33 110.06 18.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -62.14 153.22 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 16' ' ' VAL . 43.3 m-85 -109.79 11.74 24.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 90.0 mt -96.82 -64.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -101.54 -7.95 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 p 64.6 50.0 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -115.42 174.32 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 93.2 m-85 -106.01 127.09 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.9 m-85 -125.17 157.65 35.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.35 98.62 6.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.66 178.65 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.85 141.1 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.83 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -19.46 58.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -93.49 -16.94 23.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG21 HG21 ' A' ' 17' ' ' VAL . 18.9 mt -88.66 135.17 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.203 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -150.51 139.14 20.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -38.54 153.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 71' ' ' ASP . 1.4 p -146.49 171.26 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 72' ' ' ILE . 4.5 mm -66.54 -43.97 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 93' ' ' LEU . 7.6 mt -73.91 -3.81 31.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -112.66 12.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.419 HD13 HD13 ' A' ' 86' ' ' LEU . 15.7 mt -89.07 157.98 47.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.71 22.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -27.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.75 -57.58 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.3 mt-10 -57.72 -50.85 71.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -50.51 -58.0 6.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -49.38 -58.23 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -67.9 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.827 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.15 116.38 2.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -41.66 -39.9 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 83' ' ' LYS . 90.2 mt -63.44 -69.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -36.18 -59.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -66.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.624 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -45.75 -42.46 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.53 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.8 OUTLIER -62.04 -47.32 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.929 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 mt -49.77 -41.2 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.87 -14.36 61.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 7.2 mt -90.99 -10.27 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.97 -42.69 3.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.3 p -85.95 -40.61 15.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 65.26 38.39 5.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.232 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.95 101.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.571 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.12 163.04 14.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 152.46 40.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -22.78 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.04 -15.45 63.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.2 m0 -97.72 -56.38 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 103' ' ' LYS . 13.0 tttt 57.42 58.65 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.569 ' CG ' HG21 ' A' ' 98' ' ' VAL . 9.7 mmt -52.39 -178.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.23 -50.34 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 tt -94.3 -39.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 104' ' ' MET . 8.4 t -55.86 -19.36 11.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.35 -17.21 27.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.9 mt -86.29 -28.49 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.43 -55.32 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 177.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.7 p -140.0 153.4 46.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.94 156.69 23.39 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 159.97 40.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 m 56.2 107.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.0 p 178.79 118.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.012 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -99.13 111.48 23.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.33 91.58 3.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.941 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.19 108.69 3.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -172.07 102.31 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.03 116.05 3.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -170.49 12.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -137.03 64.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 10' ' ' ASP . 3.7 m-80 -128.46 94.05 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 2.6 m-20 61.16 123.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 -83.71 -42.31 16.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 38.7 mt -88.29 -36.66 16.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -75.95 148.44 38.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.24 14.5 66.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -130.52 163.51 26.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 0.715 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.115 HG22 ' CE2' ' A' ' 54' ' ' PHE . 24.9 t -75.66 144.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.5 m -144.34 157.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 p -99.84 126.3 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.595 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 51.7 t -98.99 125.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.5 t -89.07 126.29 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 138.64 47.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -32.08 52.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.8 p -80.54 -21.52 41.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.47 86.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -40.37 -48.74 2.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -47.45 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -48.87 125.8 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CH2' HD21 ' A' ' 86' ' ' LEU . 39.8 p-90 -143.85 145.18 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -132.75 146.78 62.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.93 152.29 40.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.91 143.64 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 15' ' ' LYS . 21.8 tp -96.18 114.69 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.0 t -64.5 144.39 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 9.0 pt -155.72 -173.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -126.39 137.55 30.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 100.28 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p -107.17 -57.79 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 m -70.53 -62.97 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -46.2 167.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.47 -56.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 109.333 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.8 m-20 -50.55 -45.87 57.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.32 90.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.2 m -70.52 116.32 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.482 HG21 ' HG3' ' A' ' 36' ' ' PRO . 69.1 t -104.06 111.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.41 167.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -66.77 -35.89 81.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.95 19.71 12.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -117.77 163.92 15.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.74 148.18 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.9 tp -85.0 119.68 25.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.58 158.19 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 2.5 ttt180 -118.07 108.46 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 t -62.62 154.04 30.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.115 ' CE2' HG22 ' A' ' 16' ' ' VAL . 47.1 m-85 -109.84 14.74 23.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 93.3 mt -98.89 -64.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -105.45 -9.3 17.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t 65.99 54.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 174.2 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 51.7 m-85 -107.62 108.48 19.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 62' ' ' ILE . 94.2 m-85 -110.62 152.06 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.791 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.82 99.48 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.78 178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.78 141.7 34.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -15.48 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -11.97 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -105.98 -22.84 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.9 mt -85.06 137.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -154.93 136.95 14.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 mt-10 -37.43 149.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.8 p -145.09 157.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -111.67 85.01 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.725 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -81.29 -38.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.7 mt -74.42 -1.53 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 3.6 m120 -108.03 6.15 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD13 HD13 ' A' ' 86' ' ' LEU . 43.2 mt -85.0 155.13 61.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.4 31.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.62 -25.35 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -62.66 -55.18 29.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.986 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 29.5 mm-40 -59.86 -39.62 85.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 47.6 mt -66.28 -55.28 16.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -54.82 -31.21 58.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.95 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' SER . 76.4 p -94.16 -87.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.694 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.43 117.57 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.25 -45.06 15.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' CB ' ' A' ' 83' ' ' LYS . 33.8 mt -65.4 -59.1 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -40.23 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -50.42 3.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.67 -48.9 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.725 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -63.16 -44.71 94.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' THR . 7.4 mt -47.05 -51.86 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CD1' HG13 ' A' ' 98' ' ' VAL . 85.5 t80 -64.94 -14.07 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.13 -11.48 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.55 -47.68 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ILE . 12.3 p -81.67 -10.4 59.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 40.54 43.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 95' ' ' THR . 8.7 p -168.87 121.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.687 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -67.18 163.18 48.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.04 151.92 39.95 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -25.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -61.06 -32.68 72.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.687 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.0 m95 -76.18 -56.15 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 108.042 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.91 73.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 107' ' ' SER . 5.2 mmt -48.68 178.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.42 -47.03 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 tt -94.77 -34.76 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 104' ' ' MET . 0.7 OUTLIER -48.87 -23.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -33.9 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.83 -22.01 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.5 -58.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.53 136.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.951 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.86 -146.03 7.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.72 4.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' GLY . 9.0 m -157.06 123.95 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.96 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p 44.28 80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -79.23 156.3 28.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.95 -89.14 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 56.0 86.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 179.31 -59.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.83 -104.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt 63.42 93.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -120.8 113.38 20.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.585 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER 65.2 161.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -99.78 -36.72 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.05 -35.33 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.383 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -80.54 147.84 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.802 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 81.87 -1.33 86.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -119.74 169.29 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.033 HG22 ' CE2' ' A' ' 54' ' ' PHE . 32.1 t -73.44 136.82 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.5 m -137.78 157.37 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.55 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 47.3 p -100.71 128.02 46.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.5 t -98.57 134.85 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -97.95 130.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -73.55 122.3 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.85 77.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -82.33 -11.59 58.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -139.26 69.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -43.81 -26.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.5 m -73.94 -78.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.53 132.1 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CH2' HG21 ' A' ' 70' ' ' VAL . 35.8 p-90 -144.38 145.16 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.059 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.34 148.61 70.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.785 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 150.86 38.74 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.2 139.96 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 15' ' ' LYS . 43.0 tp -91.06 115.32 27.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 51' ' ' VAL . 73.0 t -62.54 147.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.5 pt -158.35 -174.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 146.84 61.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.433 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.4 Cg_endo -75.05 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 m -107.26 -55.93 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.43 -62.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.664 HD21 HD22 ' A' ' 50' ' ' LEU . 24.9 p-10 -50.42 130.54 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.46 -47.12 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.381 1.051 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' THR . 20.2 m-20 -45.7 -53.0 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.3 mp -69.67 63.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ASP . 14.8 m -52.35 126.22 18.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.65 131.16 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 177.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -38.29 28.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -94.51 25.25 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -137.82 162.09 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.55 157.72 44.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 39' ' ' ASN . 20.7 tp -88.55 141.91 28.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.7 m -135.61 166.37 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -124.62 105.95 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.1 t -62.3 153.74 29.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.033 ' CE2' HG22 ' A' ' 16' ' ' VAL . 62.2 m-85 -109.03 15.68 23.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.451 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 80.2 mt -98.71 -64.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -106.31 -10.94 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 m 69.02 50.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.039 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -110.29 171.47 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.29 115.2 29.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.756 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.3 m-85 -115.53 153.75 30.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.36 99.02 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.077 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.74 178.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.2 134.79 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -50.61 -21.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -71.41 -34.6 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.22 -21.0 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.5 mt -86.32 137.38 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.35 135.93 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' LYS . 19.8 mt-10 -36.68 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.4 p -143.99 144.1 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.9 m-20 -102.68 90.39 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.445 HG22 ' CB ' ' A' ' 90' ' ' SER . 5.7 mm -81.54 -43.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 73' ' ' LEU . 1.6 mt -69.64 -6.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 46.4 t30 -103.53 5.43 36.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HD13 ' A' ' 86' ' ' LEU . 48.9 mt -82.57 153.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 144.16 30.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -46.38 -27.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -61.48 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -49.14 -42.12 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.542 HD22 ' OG ' ' A' ' 90' ' ' SER . 38.5 mt -65.85 -62.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -45.12 -26.98 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -100.2 -89.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -43.88 120.16 3.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.8 -42.66 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 30' ' ' PRO . 69.6 mt -66.24 -67.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 0.789 . . . . 0.0 109.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -43.89 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.17 -38.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -75.12 -47.71 27.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.542 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -57.26 -48.33 79.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 95' ' ' THR . 11.2 mt -47.71 -50.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.494 ' HE2' HD13 ' A' ' 32' ' ' LEU . 3.2 t80 -65.71 -13.55 59.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.06 -10.14 40.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.76 -44.19 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.418 ' CB ' HG12 ' A' ' 97' ' ' VAL . 28.0 p -85.98 -9.23 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 37.85 34.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 97' ' ' VAL . 12.3 p -139.13 98.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.764 HG21 ' HG3' ' A' ' 104' ' ' MET . 0.2 OUTLIER -62.14 163.21 14.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -74.98 156.01 43.03 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -17.92 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.44 -14.84 61.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.798 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 12.9 m0 -105.31 -61.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? 57.74 77.39 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.764 ' HG3' HG21 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -97.01 -168.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.968 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 104' ' ' MET . 3.0 t70 81.14 2.94 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -95.76 -29.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -55.22 -18.87 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.12 -31.16 25.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.91 -27.56 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.58 -74.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 77.99 153.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t -131.59 -59.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.27 119.5 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.33 5.38 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m 56.48 105.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.79 130.04 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -64.38 149.43 48.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 66.21 137.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.25 -173.57 33.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.68 161.34 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -47.4 167.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.602 1.188 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 -154.68 10.87 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -136.26 -67.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.756 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 71.55 89.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.58 161.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.89 -36.31 8.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.29 -40.77 12.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -79.41 148.74 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.766 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.88 1.83 79.91 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.621 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.36 166.5 13.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 54' ' ' PHE . 96.7 t -73.53 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.7 m -136.9 164.92 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.547 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 1.7 p -101.73 123.99 46.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG13 ' OD1' ' A' ' 66' ' ' ASP . 28.0 t -99.25 127.54 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 66' ' ' ASP . 10.7 t -83.96 126.07 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 145.19 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.77 -23.22 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.0 m -90.94 -11.97 37.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.59 86.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.2 mmt180 -39.33 -53.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -45.48 -67.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -47.71 130.05 14.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 42.6 p-90 -142.35 141.48 32.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -124.07 147.4 54.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 149.66 37.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -163.12 139.81 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 14' ' ' GLY . 15.9 tp -91.4 116.2 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 73.5 t -67.62 142.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.2 pt -157.81 -176.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -123.35 147.75 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.76 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -54.19 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -62.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.16 174.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -148.91 -54.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -54.26 -38.38 65.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.532 HG21 HD13 ' A' ' 50' ' ' LEU . 11.1 mm -51.13 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.5 m -77.33 111.06 12.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -108.32 135.33 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.83 171.58 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -78.16 -23.65 47.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.37 23.7 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -142.81 162.4 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 153.55 46.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 42' ' ' ILE . 18.4 tp -85.1 129.76 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.2 m -125.58 154.61 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tpt180 -113.84 111.36 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -62.74 153.99 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.12 ' CE2' HG22 ' A' ' 16' ' ' VAL . 37.3 m-85 -110.24 13.91 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.1 mt -100.54 -64.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -105.88 -12.25 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 0.7 OUTLIER 69.6 50.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -107.71 146.8 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 29.9 m-85 -84.04 103.08 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.692 ' HB3' HD11 ' A' ' 62' ' ' ILE . 27.5 m-85 -109.18 148.02 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.787 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.87 99.8 7.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.787 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.65 178.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -94.25 133.43 37.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -54.29 -19.15 4.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 8.1 ptpt -70.23 -30.84 68.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.899 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.3 p30 -82.49 -13.88 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 19' ' ' VAL . 11.3 mt -87.51 147.42 5.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.897 ' HE2' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -159.34 146.73 17.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.18 146.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.6 p -146.47 143.79 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.212 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -112.16 87.59 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.602 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.1 mm -77.96 -41.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -70.54 -5.53 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 2.0 t30 -109.68 12.63 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 86' ' ' LEU . 19.6 mt -87.52 158.05 51.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.2 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.47 36.74 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -17.54 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -69.7 -54.43 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 109.995 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.7 mt-10 -59.57 -59.57 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 mt -44.56 -57.48 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -47.3 -50.76 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 78' ' ' SER . 80.4 p -78.97 -85.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.534 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -40.52 114.82 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.61 57.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 75' ' ' LEU . 97.3 mt -59.78 -64.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.71 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -39.69 -49.83 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.873 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.602 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -59.41 -46.5 88.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.24 -52.42 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 82.8 t80 -64.13 -14.31 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -90.91 -9.88 44.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.03 -46.13 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -82.94 -36.84 24.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm-85 61.51 46.93 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 97' ' ' VAL . 11.9 p -160.34 102.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.656 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -61.94 163.21 13.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.06 150.64 38.19 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -22.03 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.68 -21.89 66.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.656 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.0 m0 -89.62 -60.36 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.22 69.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -163.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.55 -36.08 8.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -38.03 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 p -48.99 -24.31 1.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -91.3 -31.62 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.15 -18.43 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -61.97 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.64 88.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.4 p -116.36 76.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.938 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.67 162.96 35.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.68 158.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 1.049 . . . . 0.0 110.025 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 p 56.1 165.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -130.08 158.6 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -172.52 150.47 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.77 -115.06 0.47 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 m -75.88 174.14 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 0.743 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -131.99 -73.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 -172.87 19.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -137.03 140.04 41.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 0.822 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.63 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 176.22 153.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.7 pt-20 -82.51 -46.91 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 34.9 mt -83.88 -38.35 21.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -75.16 146.53 41.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 70.64 14.77 72.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -130.47 158.71 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.006 HG22 ' CE2' ' A' ' 54' ' ' PHE . 30.0 t -78.91 144.54 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 67' ' ' ILE . 28.3 m -140.26 168.14 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.474 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p -98.43 114.64 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 29' ' ' TYR . 80.4 t -92.2 112.57 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.7 t -77.96 119.6 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.207 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.14 125.85 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.84 69.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 m -81.01 -15.4 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -161.06 89.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.0 mtm180 -40.29 -57.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -42.89 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -46.72 128.46 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.5 p-90 -143.6 145.17 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.053 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -132.02 146.0 59.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.57 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 144.89 30.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -156.31 141.76 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 15' ' ' LYS . 14.1 tp -91.15 121.26 32.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG12 ' CD2' ' A' ' 13' ' ' LEU . 49.8 t -72.04 142.84 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.3 pt -154.49 -173.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 p -126.83 145.47 53.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 95.64 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -105.36 -60.56 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.936 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 t -78.33 -57.05 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 40' ' ' ASP . 6.9 t30 -55.0 163.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 15.3 m-20 -157.08 -49.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -46.54 -59.03 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.7 mt -69.41 62.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ASP . 13.2 t -52.25 147.25 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 50' ' ' LEU . 92.9 t -113.28 125.82 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -63.64 173.01 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.23 69.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.28 25.09 7.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -134.85 162.61 31.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -148.73 144.65 27.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' HG21 ' A' ' 44' ' ' VAL . 21.6 tp -85.38 121.98 28.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' LEU . 19.0 m -118.23 170.69 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 8.3 ttt85 -128.3 109.59 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.96 153.26 29.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.006 ' CE2' HG22 ' A' ' 16' ' ' VAL . 42.9 m-85 -109.15 12.22 25.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.445 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.8 mt -96.01 -62.41 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -103.19 -10.98 18.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.412 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 5.4 m 68.6 48.5 0.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -113.65 159.11 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 89.7 m-85 -92.49 131.36 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -137.71 155.96 48.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 5.6 t -118.01 107.98 14.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.3 178.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -98.87 134.83 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.6 -25.46 6.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.22 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 4.2 ptpt -66.61 -35.8 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.79 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -68.68 -21.98 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.393 1.058 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 64' ' ' ARG . 30.2 mt -84.75 148.8 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.652 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -158.5 27.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.375 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 8.8 tm-20 61.96 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.5 p -145.28 148.38 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -109.88 87.12 2.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.618 1.199 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.565 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.2 mm -74.73 -42.41 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.7 mt -69.4 -7.44 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -105.24 12.11 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 86' ' ' LEU . 36.4 mt -92.65 155.38 42.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.17 25.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -46.27 -29.08 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -56.08 -54.88 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.3 mt-10 -59.95 -57.02 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.7 mt -44.54 -57.71 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -44.34 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' SER . 82.4 p -85.92 -88.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.429 1.081 . . . . 0.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.543 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -39.97 114.37 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.7 -40.61 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 75' ' ' LEU . 95.1 mt -66.23 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.28 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.06 -49.69 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -57.23 -49.48 75.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.07 -46.95 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 mt -46.85 -51.15 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -65.8 -15.09 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mt -89.56 -10.74 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.08 -43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.9 p -83.99 -37.71 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 63.41 46.12 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 97' ' ' VAL . 14.4 p -164.54 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.578 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.55 163.26 15.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.0 147.68 34.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -25.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.77 -34.05 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.5 m0 -78.48 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? 67.7 64.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.445 ' CG ' HG21 ' A' ' 98' ' ' VAL . 5.5 mmt -73.06 -80.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.81 32.13 6.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 tt -81.55 -25.35 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.6 m -62.03 -18.59 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -88.3 -24.75 23.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.63 -25.27 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -116.7 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 60.34 78.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.3 m 63.09 123.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.38 -155.42 22.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.57 5.12 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.423 1.749 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.7 t -133.17 142.32 48.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.6 t -90.84 148.58 22.41 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 0.0 110.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.52 135.46 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 p -167.88 166.4 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.3 -79.29 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.6 94.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -167.87 163.63 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.15 63.4 4.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -138.1 -61.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -49.64 151.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.468 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -83.28 164.25 20.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.08 -34.08 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -92.14 -36.75 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -83.08 148.56 27.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.752 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 76.83 2.17 75.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.682 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.0 161.89 20.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 0.721 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 54' ' ' PHE . 54.5 t -73.49 127.19 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.2 m -127.8 157.94 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 p -99.47 125.67 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 29' ' ' TYR . 5.3 t -96.7 132.45 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.3 t -96.35 129.64 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -73.31 124.02 24.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.2 -51.6 66.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.1 m -76.52 -12.64 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -136.81 93.81 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.51 -11.22 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -91.99 -71.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 21' ' ' SER . 11.8 mm-40 -46.34 132.66 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 86' ' ' LEU . 34.4 p-90 -144.12 145.64 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.987 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -130.91 148.37 69.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 146.02 32.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -158.76 135.73 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD11 ' C ' ' A' ' 14' ' ' GLY . 16.7 tp -91.26 109.67 20.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.651 HG23 HG21 ' A' ' 17' ' ' VAL . 41.6 t -58.25 138.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.87 -173.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -129.03 146.52 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.0 Cg_endo -75.03 95.88 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.44 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -55.44 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 36' ' ' PRO . 6.0 p30 -57.78 133.99 55.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.4 -50.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.76 -50.2 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.0 mt -70.07 62.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASP . 10.3 t -52.35 143.33 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.32 131.06 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.16 -174.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -83.68 -38.32 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 25.27 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -134.63 164.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.8 150.51 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.3 tp -84.94 129.33 34.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 m -127.56 157.24 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 t -62.19 152.78 32.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.171 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.2 m-85 -108.3 16.93 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -99.96 -65.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -106.46 -9.12 16.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 5.9 p 67.89 47.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -108.64 171.25 7.53 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -95.57 127.95 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.806 ' HB3' HD11 ' A' ' 62' ' ' ILE . 81.2 m-85 -129.19 148.55 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.836 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -117.41 101.65 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.836 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.07 178.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.05 133.24 44.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -18.7 6.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.63 -15.03 59.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.752 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -97.62 -19.56 18.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG22 ' A' ' 19' ' ' VAL . 35.0 mt -85.12 150.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -162.96 137.04 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' LYS . 9.2 tm-20 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.6 127.52 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 74' ' ' ASN . 21.4 p-10 -93.02 87.6 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG22 ' CB ' ' A' ' 90' ' ' SER . 4.7 mm -72.51 -40.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.533 HD21 ' HE3' ' A' ' 94' ' ' LYS . 2.9 mt -66.26 -9.75 35.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB2' ' A' ' 71' ' ' ASP . 22.3 t-20 -93.49 -3.31 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 75.5 mt -82.04 153.81 69.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.51 43.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.1 OUTLIER -58.03 -16.75 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -70.12 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.961 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 45.8 mm-40 -53.39 -45.73 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.77 HD22 ' OG ' ' A' ' 90' ' ' SER . 34.8 mt -64.24 -54.89 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 30.4 t -49.47 -22.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 78' ' ' SER . 69.4 p -104.75 -85.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.79 118.15 1.29 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.33 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.92 -45.5 96.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 54.5 mt -66.51 -56.29 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.364 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -36.92 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -42.9 -53.81 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.808 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -50.07 -56.61 10.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.77 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -56.7 -49.07 76.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.4 mt -47.59 -49.9 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 98' ' ' VAL . 41.2 t80 -66.49 -14.09 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.4 mt -91.32 -9.61 44.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.47 -44.88 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.72 -32.07 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 5.2 mmm180 58.27 38.83 26.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 97' ' ' VAL . 7.2 p -153.06 98.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -61.9 163.23 13.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -75.03 149.81 37.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -24.96 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.62 -16.59 26.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.43 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.1 m0 -102.66 -54.51 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 59.76 57.69 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.524 ' SD ' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.61 31.77 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 109' ' ' ILE . 16.8 tt -75.62 -15.8 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.3 m -60.17 -27.92 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -97.88 -14.4 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 106' ' ' ILE . 72.4 mt -75.01 -18.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -56.61 10.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.36 77.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 64.7 p -104.62 -34.08 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.91 -120.67 20.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.15 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 t -91.22 -58.62 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.42 140.8 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.46 153.8 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -160.44 125.24 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.02 88.88 0.28 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.55 124.5 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 66.6 158.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.46 130.01 2.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.4 mt -124.19 115.85 21.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -67.94 161.74 25.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.521 ' HB2' HD23 ' A' ' 13' ' ' LEU . 2.4 t0 -149.17 170.47 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.05 -39.56 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -90.34 -40.4 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -78.56 148.68 33.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.717 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 80.94 -1.35 84.73 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.56 171.49 8.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 54' ' ' PHE . 38.8 t -73.48 138.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 HG23 ' A' ' 33' ' ' VAL . 18.9 m -140.48 157.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 29.8 p -100.57 127.77 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 67' ' ' ILE . 29.8 t -99.68 121.28 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -82.78 131.36 33.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -64.39 136.15 56.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.01 99.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 23' ' ' THR . 30.4 m -102.6 26.04 8.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' SER . 2.0 mt-10 -173.12 110.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 mpt_? -81.42 -15.3 55.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -82.81 -58.4 2.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.145 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.76 117.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.64 ' CH2' HD21 ' A' ' 86' ' ' LEU . 50.4 p-90 -135.85 154.24 51.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 1.012 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -136.39 142.03 38.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.95 143.24 28.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.012 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -157.28 144.92 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD11 ' O ' ' A' ' 14' ' ' GLY . 36.6 tp -94.58 114.46 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.8 t -66.86 146.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.775 HG21 HH21 ' A' ' 52' ' ' ARG . 2.6 pt -158.73 -172.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 p -126.48 131.67 24.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 70.19 5.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -57.48 2.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.061 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -30.54 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -90.38 162.46 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -141.4 -53.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.7 m-20 -50.72 -37.67 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mm -56.84 88.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 21.9 m -77.62 104.77 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.65 139.83 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -73.92 169.86 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.62 -2.45 42.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -122.27 21.55 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.7 164.79 27.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.63 152.4 37.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 108.209 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -88.3 129.27 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG23 ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -128.48 163.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.775 HH21 HG21 ' A' ' 34' ' ' ILE . 4.7 mtm180 -119.71 108.84 14.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -63.74 153.89 34.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.085 ' CE2' HG22 ' A' ' 16' ' ' VAL . 52.0 m-85 -109.36 10.94 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 97.6 mt -95.47 -63.94 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -102.09 -7.51 22.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.1 m 64.71 52.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 mmtt -115.59 173.8 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.6 m-85 -108.27 105.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 62' ' ' ILE . 97.7 m-85 -110.52 148.6 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 62' ' ' ILE . 9.5 t -117.02 105.99 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.02 178.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -88.03 138.16 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -58.99 -14.94 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.0 p30 -81.67 -17.19 48.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 19' ' ' VAL . 25.7 mt -87.21 131.36 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.54 138.02 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LYS . 10.4 tm-20 -37.01 141.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.1 p -142.98 133.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.2 m-20 -92.58 88.86 6.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -79.49 -46.33 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.644 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -66.72 -9.3 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 55.5 t30 -96.88 3.77 51.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 73.9 mt -85.94 153.92 57.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.9 30.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -45.87 -26.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.8 -60.23 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.4 mm-40 -53.02 -48.66 67.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.47 -57.42 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -46.45 -43.59 16.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 78' ' ' SER . 81.4 p -82.94 -83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -47.83 121.41 8.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.86 -52.7 11.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 70.1 mt -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -53.73 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -39.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.34 68.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.644 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -61.73 -45.88 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.0 mt -47.51 -51.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD1' HG13 ' A' ' 98' ' ' VAL . 11.0 t80 -64.73 -14.71 59.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.594 1.184 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -90.57 -10.62 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.52 -48.58 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.9 ' O ' HG12 ' A' ' 97' ' ' VAL . 23.3 p -81.74 -5.99 58.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 23.0 mmt180 37.17 34.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.9 HG12 ' O ' ' A' ' 95' ' ' THR . 4.1 p -146.21 117.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -82.57 163.26 52.75 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.23 42.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 102' ' ' TRP . 4.1 m-20 -47.53 -35.61 9.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -49.84 -23.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 8.9 m0 -99.58 -58.15 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 70.27 80.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.54 ' SD ' HG21 ' A' ' 98' ' ' VAL . 77.3 mtp -127.21 -178.02 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t0 178.21 44.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.15 -23.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -10.6 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.49 -13.4 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.2 mt -79.99 -18.16 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -56.25 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.05 127.0 53.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 117.06 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 114' ' ' PRO . . . 161.82 136.12 1.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 113' ' ' GLY . 18.1 Cg_endo -75.0 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -39.34 134.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.1 t -174.7 134.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -121.38 119.03 30.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.104 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -110.45 169.11 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.42 66.49 0.55 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.427 1.08 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 163.48 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.07 150.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.83 134.07 1.59 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -145.38 71.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 0.832 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -128.61 -47.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 169.85 147.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 13.8 pt-20 -86.34 -50.57 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -74.94 -41.11 60.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.6 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -70.15 144.4 52.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.588 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 73.9 15.79 79.56 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.14 159.16 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.22 HG22 ' CE2' ' A' ' 54' ' ' PHE . 43.0 t -73.54 130.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' ALA . 17.2 m -134.07 160.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 83.9 p -98.86 131.97 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 62' ' ' ILE . 38.5 t -103.47 125.15 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' ASP . 19.5 t -89.84 128.32 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -71.23 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.87 82.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.1 m -84.16 0.08 50.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -150.39 80.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.227 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -54.69 -18.79 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -81.91 -75.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.32 132.0 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.4 p-90 -144.23 146.79 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.902 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.4 p90 -133.53 149.46 72.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.436 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 134.63 17.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.902 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -145.69 136.87 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 15' ' ' LYS . 31.9 tp -91.06 110.88 22.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 17' ' ' VAL . 61.9 t -58.21 143.48 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.2 pt -156.85 178.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -121.04 145.68 42.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 99.31 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.63 -59.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.079 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -85.6 -39.66 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.271 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -70.06 113.81 7.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -110.45 -55.45 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.95 -55.17 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 42' ' ' ILE . 3.3 mt -70.25 61.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.6 t -52.22 145.91 10.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.25 127.7 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 164.25 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.4 75.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.4 25.49 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.62 162.29 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.92 154.71 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 60' ' ' TYR . 29.6 tp -87.12 136.76 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 5.0 m -133.69 158.82 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.502 ' HD2' HD13 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -119.22 105.56 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -63.84 134.09 54.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.22 ' CE2' HG22 ' A' ' 16' ' ' VAL . 56.8 m-85 -88.47 20.45 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.1 mt -100.11 -64.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -102.39 -7.09 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t 65.04 42.9 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -108.09 -171.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 73.6 m-85 -117.13 128.6 55.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 62' ' ' ILE . 73.1 m-85 -127.47 156.55 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.818 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.19 101.28 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.818 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.75 178.59 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.46 138.11 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -21.64 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -74.93 -26.62 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -84.13 -20.96 31.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mt -86.19 143.33 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -159.81 139.79 11.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -37.27 147.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 4.2 p -146.53 138.91 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -101.46 87.28 3.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.52 HG22 ' HB3' ' A' ' 90' ' ' SER . 4.3 mm -79.56 -39.62 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.047 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.8 mt -73.49 -4.18 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -109.6 12.57 24.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 86' ' ' LEU . 23.9 mt -89.08 156.54 49.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.55 35.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -20.47 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -62.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.9 mt-10 -52.52 -58.84 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.63 -54.62 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -49.43 -36.16 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' LYS . 70.0 p -94.7 -85.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -36.84 112.9 0.58 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -29.63 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -49.33 40.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 75' ' ' LEU . 80.6 mt -55.82 -60.8 2.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -36.58 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -41.65 -58.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -47.74 -50.15 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.52 ' HB3' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -59.31 -46.88 87.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -48.82 -47.41 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CD1' HG13 ' A' ' 98' ' ' VAL . 81.5 t80 -66.8 -13.23 61.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.8 mt -93.67 -9.35 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.54 -46.61 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -83.0 -23.57 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 19.6 mmm180 49.95 41.5 23.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 97' ' ' VAL . 10.6 p -163.08 105.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.719 HG21 ' SD ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -62.23 163.1 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.98 155.02 42.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -47.47 -39.81 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -48.51 -26.1 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 10.7 m0 -92.14 -60.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 60.52 62.92 1.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.719 ' SD ' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -55.66 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.23 -55.12 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 109' ' ' ILE . 15.1 tt -77.35 -23.32 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 t -56.97 -40.6 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -80.14 -9.94 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 106' ' ' ILE . 83.1 mt -86.82 -19.39 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.39 -61.18 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 61.71 160.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 m 61.88 121.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.09 -155.64 13.1 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.85 4.46 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m 66.47 97.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.75 -87.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.585 1.178 . . . . 0.0 111.026 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 64.98 121.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -164.25 140.36 6.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.19 -176.02 37.61 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -169.04 109.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.057 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.91 168.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.1 -177.02 14.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt 71.74 71.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.227 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -147.45 159.14 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -77.58 157.84 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.21 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD22 HG11 ' A' ' 17' ' ' VAL . 6.4 mt -70.16 -47.31 62.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -62.49 144.61 55.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.689 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 66.15 17.56 65.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 pttt -130.54 155.44 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.143 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.5 t -73.37 135.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.648 HG11 HD22 ' A' ' 12' ' ' LEU . 14.4 m -137.3 159.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.4 p -102.06 128.06 48.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.691 ' CG1' HG21 ' A' ' 62' ' ' ILE . 32.5 t -99.57 130.62 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.2 t -91.99 129.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.4 m -75.21 121.75 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -22.56 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -89.69 -29.16 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.6 pt-20 -145.38 77.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HA ' HG12 ' A' ' 20' ' ' VAL . 18.6 mmt85 -36.62 -32.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . 1.1 m -60.48 -65.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.69 128.85 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.6 p-90 -140.88 143.94 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.817 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -130.56 145.51 57.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.07 149.48 36.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -162.36 139.66 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' C ' ' A' ' 14' ' ' GLY . 32.9 tp -94.27 115.6 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 78.9 t -62.39 151.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.8 pt -160.7 -177.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.1 t -119.71 136.86 25.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.55 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -97.02 -56.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 m -79.68 -56.03 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.22 139.58 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.49 -61.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -45.18 -54.05 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 42' ' ' ILE . 47.6 mm -69.93 62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -52.21 133.73 33.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.59 118.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 157.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -62.83 -38.84 92.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -92.38 23.01 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.59 154.43 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.54 146.96 46.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 108.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 59' ' ' PHE . 28.7 tp -84.98 114.2 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG12 HG22 ' A' ' 33' ' ' VAL . 8.4 m -111.33 153.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NH1' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -111.55 112.23 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -62.67 152.88 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.143 ' CE2' HG22 ' A' ' 16' ' ' VAL . 44.7 m-85 -108.53 16.45 22.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.7 mt -99.85 -64.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -105.93 -12.16 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t 71.36 53.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -114.3 163.56 15.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.651 ' CE2' ' NH1' ' A' ' 52' ' ' ARG . 66.8 m-85 -94.69 118.47 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 62' ' ' ILE . 85.6 m-85 -117.5 151.97 36.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.814 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.85 100.29 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.84 178.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' CG ' ' A' ' 66' ' ' ASP . . . -101.86 136.39 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -55.69 -18.67 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.745 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -101.28 -22.77 14.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 150.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -161.01 137.12 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.36 144.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 72' ' ' ILE . 2.6 p -146.52 143.79 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 25.0 m-20 -104.3 83.93 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.488 HD13 ' N ' ' A' ' 72' ' ' ILE . 4.0 mm -72.64 -39.26 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD21 ' HE3' ' A' ' 94' ' ' LYS . 1.1 mt -69.65 -6.84 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 18.2 t30 -99.64 -3.37 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 86' ' ' LEU . 21.1 mt -75.71 154.32 85.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.42 -29.1 2.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.32 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.6 mt-10 -46.06 -52.79 11.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.882 HD22 ' OG ' ' A' ' 90' ' ' SER . 47.2 mt -53.16 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -44.21 -58.61 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 55.0 p -66.43 -83.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.799 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -49.93 116.02 5.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -45.05 -34.52 4.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 83' ' ' LYS . 25.3 mt -77.99 -53.27 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -38.15 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.66 -55.62 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -45.83 -49.9 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.882 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.1 -49.46 75.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.956 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.486 HG23 HG21 ' A' ' 95' ' ' THR . 12.5 mt -50.29 -42.31 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CD1' HG13 ' A' ' 98' ' ' VAL . 86.3 t80 -71.08 -13.39 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.0 mt -93.36 -9.97 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.68 -53.77 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 91' ' ' ILE . 16.5 p -78.28 -11.85 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm180 37.25 53.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 97' ' ' VAL . 12.3 p -168.63 108.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.26 163.2 14.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 152.97 41.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -50.79 -27.59 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.64 -18.99 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m0 -96.21 -61.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 107.955 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 65.63 51.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.1 mmt -69.56 160.03 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -171.33 48.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 109' ' ' ILE . 2.3 tt -101.89 -25.52 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -62.45 -15.96 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.89 -19.03 16.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 106' ' ' ILE . 85.9 mt -71.64 -29.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.76 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 40.46 73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.68 166.17 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 153.23 29.29 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.9 5.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.9 t -145.65 140.48 27.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.025 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -76.98 131.32 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.48 1.112 . . . . 0.0 110.931 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.2 83.92 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.76 91.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.36 161.05 31.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.96 -58.25 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 0.83 . . . . 0.0 109.941 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.71 171.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 110.16 2.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -103.77 -29.5 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' ASP . 22.5 m-20 -106.14 99.13 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 1.9 m-20 61.5 124.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.5 pt-20 -82.79 -52.03 7.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.949 HD23 ' HD3' ' A' ' 15' ' ' LYS . 12.1 mt -75.47 -51.83 12.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -49.96 141.9 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.612 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.74 23.32 68.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.949 ' HD3' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.15 163.65 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.138 HG22 ' CE2' ' A' ' 54' ' ' PHE . 19.1 t -84.89 121.94 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG11 HD22 ' A' ' 12' ' ' LEU . 15.0 m -124.16 168.3 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 78.9 p -103.47 130.99 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.623 HG11 ' HE2' ' A' ' 29' ' ' TYR . 41.0 t -101.75 114.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.4 t -81.99 130.83 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 t -75.91 134.31 40.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.92 60.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.5 p -99.18 -27.2 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.7 tp10 -144.98 81.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.3 mtt180 -37.58 -44.2 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -53.22 -64.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -52.38 124.34 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 42.3 p-90 -143.83 144.71 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 p90 -132.37 147.43 65.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.0 138.1 22.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -147.82 136.02 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 15' ' ' LYS . 17.0 tp -91.22 112.61 24.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 34' ' ' ILE . 68.4 t -58.94 149.96 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.7 pt -159.12 -179.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -123.7 137.78 29.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 67.32 5.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.451 1.763 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -91.87 -59.74 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.09 148.9 45.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -53.79 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 m-20 -53.99 -34.48 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.15 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m -83.41 108.27 16.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.71 127.38 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -169.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -89.11 -41.97 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.32 25.47 3.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 62.5 mt-30 -126.61 164.49 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.72 149.07 30.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 59' ' ' PHE . 62.8 tp -86.7 128.39 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 7.6 m -126.47 174.2 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -132.62 103.53 6.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -62.14 136.83 58.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.138 ' CE2' HG22 ' A' ' 16' ' ' VAL . 70.9 m-85 -89.6 21.81 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 78.9 mt -100.51 -63.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 56.4 t0 -102.95 -20.15 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 3.6 p 78.74 39.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -106.01 179.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.641 ' HB3' HD11 ' A' ' 50' ' ' LEU . 68.2 m-85 -105.69 136.53 45.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.647 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.0 m-85 -139.81 150.58 44.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.816 ' C ' HD13 ' A' ' 62' ' ' ILE . 7.3 t -117.64 105.13 11.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.816 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.52 178.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -98.59 136.22 39.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -56.74 -17.9 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -14.12 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -99.82 -12.36 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.3 mt -96.73 144.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 144.06 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.25 147.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 3.7 p -147.04 147.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -112.52 86.52 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.571 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.5 mm -77.84 -41.44 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 73' ' ' LEU . 1.1 mt -71.48 -6.73 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -103.3 0.74 31.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.542 HD13 HD13 ' A' ' 86' ' ' LEU . 34.1 mt -80.71 154.32 73.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.165 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.26 31.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -52.47 -20.43 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -65.18 -48.2 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mm-40 -67.68 -46.21 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.612 HD22 ' OG ' ' A' ' 90' ' ' SER . 33.4 mt -64.14 -54.75 28.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 45.1 t -48.13 -23.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 78' ' ' SER . 81.7 p -106.23 -85.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.21 122.22 1.3 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -48.72 -53.95 15.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 30' ' ' PRO . 58.1 mt -56.36 -56.9 15.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -36.03 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -61.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.15 -49.52 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.42 -48.74 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 95' ' ' THR . 9.4 mt -48.2 -46.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CD1' HG13 ' A' ' 98' ' ' VAL . 82.2 t80 -68.84 -14.37 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mt -91.5 -9.91 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.39 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.065 . . . . 0.0 109.244 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' ILE . 44.7 p -84.55 -37.09 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 63.59 37.53 10.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 97' ' ' VAL . 6.1 p -155.12 101.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.582 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.01 163.15 14.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -74.99 150.02 37.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.03 -28.14 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.47 -26.69 43.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 8.5 m0 -88.51 -61.19 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.37 68.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.404 ' HG2' HG21 ' A' ' 98' ' ' VAL . 3.9 mmt -56.4 -179.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.1 -51.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.5 tt -84.16 -36.04 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -53.27 -21.96 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.75 -24.87 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.85 -17.79 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.0 -56.77 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 57.08 168.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -154.84 170.14 22.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.23 106.75 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 172.62 15.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.81 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -75.75 167.75 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.942 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 t -64.01 -56.14 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.54 149.15 14.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.92 142.06 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.86 -155.52 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.34 98.76 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -43.84 137.78 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.69 82.87 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.58 127.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.02 -65.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HB2' ' CB ' ' A' ' 13' ' ' LEU . 5.6 p-10 178.0 115.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -88.89 -45.72 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.419 HD23 ' HE2' ' A' ' 15' ' ' LYS . 39.3 mt -85.43 -51.03 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -47.95 152.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.603 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 50.11 21.6 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -134.95 149.66 50.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.717 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.064 HG22 ' CE2' ' A' ' 54' ' ' PHE . 51.4 t -73.18 134.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' ALA . 15.9 m -132.95 162.38 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' VAL . 5.3 p -102.59 122.64 44.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 29' ' ' TYR . 8.7 t -93.93 127.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.1 t -92.11 125.17 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 7.4 t -73.94 127.49 33.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.01 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -76.72 -2.17 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.0 OUTLIER -145.14 72.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -50.06 -23.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -82.66 -69.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.34 132.39 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 39.8 p-90 -143.87 146.19 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.893 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -128.71 146.79 61.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.062 . . . . 0.0 110.989 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.851 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.97 144.09 29.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.893 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.39 138.06 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 15' ' ' LYS . 34.2 tp -91.41 126.41 36.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 34' ' ' ILE . 79.0 t -71.27 140.71 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 33' ' ' VAL . 21.1 pt -157.37 -178.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -122.83 144.9 43.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.53 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -55.29 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -71.9 175.03 6.17 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -60.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.4 m-20 -56.25 -40.44 74.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.46 82.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -80.39 120.1 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -99.68 146.02 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -74.17 -170.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -21.02 17.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -93.08 -20.13 20.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -103.86 163.42 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.26 151.59 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.345 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 tp -85.86 121.56 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.55 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.9 m -116.56 160.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -115.66 111.85 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 t -62.25 153.78 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.064 ' CE2' HG22 ' A' ' 16' ' ' VAL . 28.4 m-85 -111.99 9.43 20.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 92.8 mt -94.79 -64.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.0 -12.75 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p 72.26 50.34 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -107.55 172.95 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -104.53 107.96 19.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 62' ' ' ILE . 90.6 m-85 -109.47 152.81 24.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.778 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.68 99.53 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.33 178.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.79 134.86 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -54.27 -19.69 5.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -20.19 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.5 m-20 -92.22 -17.46 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.9 mt -86.85 147.07 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -160.24 139.84 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.5 mt-10 -38.07 144.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 18' ' ' SER . 4.6 p -143.62 148.06 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -111.91 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.942 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -76.59 -41.14 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.639 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.85 -6.33 40.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -104.08 8.87 36.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 86' ' ' LEU . 57.0 mt -89.93 156.04 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.1 Cg_endo -75.09 135.3 18.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -56.52 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 55.4 mm-40 -55.9 -48.76 75.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.56 -54.34 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -51.72 -45.82 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' SER . 72.0 p -81.7 -85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.637 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.58 118.5 2.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.73 -43.39 6.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.851 HD23 ' HG3' ' A' ' 30' ' ' PRO . 48.7 mt -65.99 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -38.3 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -41.72 -59.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.86 -49.66 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.942 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -61.12 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.93 -50.18 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.8 mt -90.97 -11.01 40.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.7 -41.71 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 61.58 36.51 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 97' ' ' VAL . 13.3 p -153.03 106.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.38 163.3 14.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 153.88 41.98 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -44.82 -45.99 10.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -42.77 -28.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' HG11 ' A' ' 98' ' ' VAL . 10.3 m0 -92.32 -60.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.993 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt 58.64 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.552 ' HG3' HG21 ' A' ' 98' ' ' VAL . 2.5 mmt -84.92 163.76 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 177.22 52.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -23.73 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.34 -13.96 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.0 mt -79.39 -13.74 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.234 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mt -110.82 -65.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.89 -66.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -172.52 75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 168.79 157.81 11.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.593 1.183 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.07 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.5 t -128.92 89.41 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.1 m 63.11 91.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.99 79.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -133.62 118.41 18.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.117 . . . . 0.0 110.051 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.77 -119.39 2.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m 61.96 101.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -102.66 170.98 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.8 -79.23 0.51 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.53 104.63 6.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.73 165.54 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -107.61 162.71 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 -103.01 -46.97 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.4 mt -84.34 -42.95 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -77.85 149.55 34.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 78.4 1.4 81.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.39 168.9 11.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.734 HG11 ' HB1' ' A' ' 89' ' ' ALA . 72.7 t -74.08 139.66 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' ' 33' ' ' VAL . 12.3 m -148.34 161.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 p -99.42 123.15 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 62' ' ' ILE . 41.6 t -93.41 131.27 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.0 t -95.8 127.75 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 6.5 t -78.5 129.15 34.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.76 4.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 t -71.48 -13.7 61.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.458 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -133.16 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.8 mmt180 -42.3 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -75.43 -74.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -47.46 130.87 13.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CH2' HD21 ' A' ' 86' ' ' LEU . 46.7 p-90 -141.92 143.78 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.9 p90 -126.83 150.31 71.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 151.62 40.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.63 137.7 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 14' ' ' GLY . 19.7 tp -91.14 101.73 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.375 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . 94.2 t -54.51 144.7 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 33' ' ' VAL . 10.7 pt -153.81 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -125.99 142.58 42.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.466 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 18.3 Cg_endo -74.98 86.62 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t -102.74 -60.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -59.07 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.504 ' CB ' HD12 ' A' ' 42' ' ' ILE . 3.4 p30 -62.85 171.34 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -147.87 -59.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 4.7 m-20 -46.66 -50.27 17.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.504 HD12 ' CB ' ' A' ' 39' ' ' ASN . 96.7 mt -40.57 98.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -80.52 116.3 20.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -110.74 115.23 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -51.66 179.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -78.06 -37.85 45.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.12 25.19 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.4 155.63 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 155.52 43.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.376 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.0 tp -85.93 141.89 29.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' VAL . 4.9 m -138.91 163.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -121.37 105.64 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -62.28 153.34 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' A' ' 16' ' ' VAL . 64.8 m-85 -109.9 16.1 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.5 mt -101.28 -64.54 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.08 -8.07 17.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 t 63.83 55.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -116.13 169.01 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 55.5 m-85 -101.1 114.53 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 62' ' ' ILE . 76.9 m-85 -116.52 156.73 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -119.92 101.01 7.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.99 178.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.28 137.87 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.07 9.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.63 -18.31 54.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -92.55 -17.91 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.1 mt -84.84 147.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.97 145.1 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -37.66 151.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 72' ' ' ILE . 14.7 p -133.22 163.52 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 5.8 m-20 -119.29 43.85 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.653 HD12 HD22 ' A' ' 86' ' ' LEU . 15.5 mm -48.54 -61.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.3 mt -67.61 -7.86 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 2.7 m-80 -106.52 10.64 31.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.559 HD22 ' OE1' ' A' ' 79' ' ' GLU . 18.2 mt -91.64 157.29 42.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.73 24.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -26.73 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 82' ' ' THR . 0.6 OUTLIER -57.56 -56.9 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE1' HD22 ' A' ' 75' ' ' LEU . 7.8 mt-10 -59.1 -56.02 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.417 HD22 ' OG ' ' A' ' 90' ' ' SER . 49.3 mt -47.34 -59.68 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 t -45.59 -52.32 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 78' ' ' SER . 68.6 p -75.01 -86.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.712 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.51 116.75 1.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.63 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -49.78 -48.04 37.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 ' CB ' ' A' ' 83' ' ' LYS . 62.3 mt -58.57 -65.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -35.22 -66.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -45.17 -65.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.734 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -44.08 -42.9 6.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -62.08 -48.8 78.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 95' ' ' THR . 9.7 mt -49.01 -43.04 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.497 ' HD2' HG23 ' A' ' 16' ' ' VAL . 84.6 t80 -71.02 -14.52 62.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 72' ' ' ILE . 6.6 mt -91.3 -10.53 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.75 -41.75 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.6 p -85.78 -39.13 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 4.5 mmm180 65.24 35.32 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 97' ' ' VAL . 7.3 p -151.82 103.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.667 HG21 ' HG2' ' A' ' 104' ' ' MET . 0.4 OUTLIER -61.86 162.86 14.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASN . 18.5 Cg_endo -75.04 144.14 29.76 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.445 1.761 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -24.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 99' ' ' PRO . 29.5 m-20 -55.31 -33.01 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 18.6 m0 -85.65 -62.43 1.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER 87.26 -17.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.667 ' HG2' HG21 ' A' ' 98' ' ' VAL . 1.3 mmt 45.02 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.52 -59.59 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 tt -83.72 -30.09 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.453 ' CB ' ' HG3' ' A' ' 104' ' ' MET . 0.5 OUTLIER -60.44 -25.56 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.24 -18.72 25.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.5 mt -76.58 -15.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -88.2 -63.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.13 137.36 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.2 t -106.76 101.88 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.65 154.07 6.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 124.89 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -177.89 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.3 p -126.57 148.23 49.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 104' ' ' MET . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m -150.57 -64.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.74 153.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.09 -79.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.164 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -162.28 -63.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -169.67 151.82 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.18 -137.78 6.65 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 30.6 mt -101.81 48.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 0.815 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 2.3 t-20 77.79 -57.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 2.3 m-20 61.18 127.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.8 pt-20 -84.84 -52.13 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.924 HD23 ' HE3' ' A' ' 15' ' ' LYS . 10.7 mt -74.55 -46.94 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -61.61 140.97 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.593 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 62.32 26.6 68.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.924 ' HE3' HD23 ' A' ' 12' ' ' LEU . 1.3 tttt -136.25 152.07 50.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.091 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.9 t -72.37 136.22 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 12' ' ' LEU . 14.9 m -136.71 159.7 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -98.99 122.31 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.604 HG11 ' HE1' ' A' ' 29' ' ' TYR . 31.1 t -94.69 122.58 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.9 t -85.37 130.8 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -68.8 137.22 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -60.39 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 23' ' ' THR . 26.7 m -90.13 22.13 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -163.45 62.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -41.22 -38.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -59.73 -73.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.5 130.8 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.201 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.88 143.96 31.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 108.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.822 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.05 147.12 64.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.63 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 146.71 33.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -159.09 138.47 11.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD11 ' C ' ' A' ' 14' ' ' GLY . 30.8 tp -91.28 118.27 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 34' ' ' ILE . 99.9 t -69.12 146.46 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' VAL . 14.2 pt -153.61 -173.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -125.92 127.26 24.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.053 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 t -102.26 -56.22 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.56 -58.5 3.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -48.87 122.01 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -111.35 -59.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -45.37 -55.33 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 42' ' ' ILE . 7.2 mt -70.94 60.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 t -65.8 142.65 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 50' ' ' LEU . 89.6 t -113.32 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -55.66 -170.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -33.77 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.73 22.13 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -138.9 162.2 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -138.93 151.07 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.321 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 44' ' ' VAL . 23.9 tp -84.93 116.03 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -111.83 155.3 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.598 ' HD3' ' HE3' ' A' ' 104' ' ' MET . 5.6 ttt180 -114.56 116.52 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -63.43 153.65 34.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.091 ' CE2' HG22 ' A' ' 16' ' ' VAL . 29.0 m-85 -110.43 8.96 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 94.6 mt -93.88 -64.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 57' ' ' SER . 19.2 t70 -105.45 -20.13 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.2 m 82.57 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.03 154.13 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -91.69 119.5 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB3' HD11 ' A' ' 62' ' ' ILE . 84.3 m-85 -121.54 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.813 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.32 100.71 7.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.813 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.24 178.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.74 137.02 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -31.62 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.1 -27.84 67.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.732 ' OD2' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -86.8 -24.96 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.75 139.35 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.88 137.78 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -38.62 142.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.0 p -138.35 154.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.225 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.11 86.94 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.83 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -83.23 -40.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.655 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.0 -5.42 31.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 21.8 m-80 -107.96 12.29 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 86' ' ' LEU . 23.8 mt -87.93 154.83 52.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 144.47 29.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -22.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.88 -49.51 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' LYS . 64.3 mm-40 -65.92 -47.04 76.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.84 -55.65 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.1 t -50.8 -38.65 49.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 78' ' ' SER . 61.1 p -89.2 -88.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 110.444 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -41.47 117.96 1.74 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -53.43 -53.24 36.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 75' ' ' LEU . 84.5 mt -55.01 -59.63 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -61.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.14 -49.16 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.83 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -63.46 -46.34 86.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 95' ' ' THR . 9.4 mt -49.07 -46.67 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.12 -13.97 62.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 mt -90.69 -12.34 37.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.655 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -114.68 -44.06 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.355 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.41 HG21 HG23 ' A' ' 91' ' ' ILE . 53.1 p -82.22 -31.98 30.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 55.37 42.77 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.594 HG23 HG12 ' A' ' 106' ' ' ILE . 14.8 p -162.12 112.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.717 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -70.16 163.16 64.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.5 Cg_endo -74.85 150.18 38.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -50.38 -23.09 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -62.92 -26.38 68.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.717 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.3 m0 -85.44 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.62 72.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.598 ' HE3' ' HD3' ' A' ' 52' ' ' ARG . 3.3 mtt -93.28 -77.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -173.61 41.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.594 HG12 HG23 ' A' ' 97' ' ' VAL . 0.8 OUTLIER -150.3 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -43.34 -32.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -36.33 19.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' ILE . 71.7 mt -56.18 -19.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 97' ' ' VAL . 0.6 OUTLIER -49.52 -68.38 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.99 76.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.0 p -102.25 168.37 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.83 -125.08 2.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 36.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.418 1.746 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.31 -58.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 m 64.32 118.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p 55.31 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -176.39 -58.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.83 -166.26 12.5 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -83.0 -60.14 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.46 95.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.48 -175.34 15.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -145.43 102.58 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -121.67 -45.86 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 173.62 157.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.376 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.6 pt-20 -86.22 -43.9 12.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' LYS . 48.7 mt -86.2 -49.43 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -51.58 143.0 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.722 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.44 19.1 72.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.18 158.17 39.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 0.803 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 54' ' ' PHE . 33.1 t -73.84 137.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 70' ' ' VAL . 11.1 m -139.97 162.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.1 p -100.19 130.23 46.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 67' ' ' ILE . 39.7 t -103.52 123.65 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.5 t -85.85 126.36 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.26 130.2 37.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -24.14 63.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 m -85.28 -22.74 28.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.04 86.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -39.44 -47.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -49.85 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.453 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.82 129.31 22.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -143.08 144.47 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 107.995 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -130.54 145.6 58.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -74.96 145.1 31.18 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.881 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.18 139.44 13.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.2 tp -91.79 115.31 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -61.2 144.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 33' ' ' VAL . 12.9 pt -160.27 175.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 70.3 p -124.38 139.92 33.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.03 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -59.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.093 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -61.58 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -42.94 136.94 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.47 -61.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -45.3 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.6 90.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -73.69 114.77 12.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HG3' ' A' ' 36' ' ' PRO . 77.5 t -106.15 114.15 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -53.87 167.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.47 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.27 24.16 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.87 163.72 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.69 153.42 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.23 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ILE . 39.2 tp -86.19 128.05 34.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.525 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -127.75 164.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 6.6 ttt180 -122.53 111.91 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -61.99 151.99 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.167 ' CE2' HG22 ' A' ' 16' ' ' VAL . 38.9 m-85 -108.44 13.05 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -99.14 -64.09 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 57' ' ' SER . 10.8 t0 -102.44 -22.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.9 p 82.89 43.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.1 177.84 4.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.33 115.39 27.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.0 m-85 -120.44 152.14 38.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.64 1.212 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.809 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -116.95 105.53 12.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.809 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.05 178.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -96.68 130.83 43.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -21.48 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 1.8 ptpp? -74.18 -31.23 62.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 m-20 -80.09 -14.5 58.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 19' ' ' VAL . 18.5 mt -93.74 150.49 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.694 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -155.68 146.17 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.42 142.81 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 17' ' ' VAL . 6.9 p -142.03 151.98 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 28.9 m-20 -117.08 81.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.589 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.8 mm -68.25 -38.48 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.718 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.6 mt -67.59 -8.93 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 5.4 m-20 -99.71 9.2 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD13 HD13 ' A' ' 86' ' ' LEU . 71.5 mt -90.51 154.07 46.16 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.3 Cg_endo -74.98 144.65 30.58 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.434 1.755 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -27.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.67 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.948 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -52.78 -39.2 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.8 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -44.43 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' SER . 39.4 p -64.23 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.0 117.7 1.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.17 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.57 -23.21 42.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 83' ' ' LYS . 31.3 mt -92.77 -33.58 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -57.52 -74.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -50.69 51.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -42.81 -57.96 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.589 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.28 -46.64 87.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -48.67 -47.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.75 -14.39 62.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -91.29 -10.52 41.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.718 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.12 -44.36 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -82.32 -28.96 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 56.99 42.12 26.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 97' ' ' VAL . 9.7 p -162.6 110.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.637 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.37 163.1 15.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 151.71 40.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -21.81 3.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.73 -9.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CE3' HG11 ' A' ' 98' ' ' VAL . 13.0 m0 -103.44 -52.45 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.62 71.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.415 ' SD ' ' CB ' ' A' ' 107' ' ' SER . 3.7 mmt -49.28 179.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 -52.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -41.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.415 ' CB ' ' SD ' ' A' ' 104' ' ' MET . 3.3 t -60.37 -21.33 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -27.07 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.95 -21.55 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -49.85 -74.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -44.37 137.19 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.97 88.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 -105.8 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.51 35.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.4 p -88.05 -59.37 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.6 m -130.66 135.31 47.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -59.54 114.63 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.95 103.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.9 -140.18 3.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.644 1.215 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -145.08 159.9 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -170.81 102.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.36 175.78 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -130.83 92.9 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -138.82 117.8 12.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.34 144.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.0 pt-20 -90.67 -50.98 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 15' ' ' LYS . 60.3 mt -71.49 -54.06 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -43.55 143.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.601 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 58.36 18.01 34.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -135.59 151.03 49.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 54' ' ' PHE . 97.2 t -74.19 142.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.1 m -142.18 162.34 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 8.2 p -98.88 122.63 42.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 67' ' ' ILE . 92.3 t -100.36 120.65 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 66' ' ' ASP . 28.8 t -75.75 119.78 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 1.4 m -54.65 125.3 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.087 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.73 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -90.72 -9.7 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -138.73 104.1 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -65.04 -13.91 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -96.1 -78.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' HG22 ' A' ' 26' ' ' THR . 2.6 mm-40 -38.49 134.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.66 144.26 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.866 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -124.39 146.44 52.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.03 143.87 29.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.866 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -155.92 140.71 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.8 tp -92.56 114.29 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 71.8 t -65.03 145.52 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.6 pt -154.82 -173.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 t -126.11 132.94 24.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.18 -49.68 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.65 -54.44 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -64.14 152.64 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 -58.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.11 -52.69 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 42' ' ' ILE . 36.4 mm -71.17 60.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -57.78 144.97 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 49' ' ' CYS . 74.7 t -112.61 129.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -83.37 -33.73 25.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 24.03 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -131.93 162.29 31.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -149.79 149.23 30.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 tp -85.06 123.11 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.2 m -121.6 155.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HB3' ' CZ3' ' A' ' 102' ' ' TRP . 4.3 ttt180 -112.56 106.96 15.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 153.77 29.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.095 ' CE2' HG22 ' A' ' 16' ' ' VAL . 53.5 m-85 -109.67 13.98 23.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.9 mt -97.89 -64.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -106.26 -11.9 15.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m 69.6 51.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -110.59 160.22 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 49.0 m-85 -95.66 108.25 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -115.57 152.77 32.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -117.12 108.27 15.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -116.02 178.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.11 134.54 42.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -18.78 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 13.8 ptpt -78.7 -15.2 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -96.12 -18.23 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.373 1.045 . . . . 0.0 109.218 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 19' ' ' VAL . 19.5 mt -90.18 148.0 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' CE ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -153.94 144.14 22.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.6 146.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.1 p -145.3 147.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -117.57 81.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.718 HD12 HD22 ' A' ' 86' ' ' LEU . 4.9 mm -70.18 -43.09 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 73' ' ' LEU . 5.0 mt -69.11 -6.89 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -108.62 12.35 25.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 86' ' ' LEU . 28.9 mt -94.28 158.22 36.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.07 34.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -27.06 22.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.67 -45.92 84.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.6 mt-10 -69.02 -47.36 65.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.676 HD22 ' OG ' ' A' ' 90' ' ' SER . 40.8 mt -59.27 -51.87 68.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 t -54.01 -44.2 70.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.792 HG23 ' O ' ' A' ' 78' ' ' SER . 72.7 p -83.51 -85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.97 112.56 0.93 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.94 8.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -68.88 -41.83 80.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 72' ' ' ILE . 87.1 mt -66.17 -52.73 45.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.17 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.96 -50.12 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.45 -50.45 59.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.676 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.97 -47.54 85.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 95' ' ' THR . 9.9 mt -48.63 -46.49 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 64.7 t80 -68.88 -12.63 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -93.52 -11.42 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.14 -52.57 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 12.8 p -79.46 -9.76 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 95' ' ' THR . 4.8 mmm-85 37.48 52.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 14.2 p -169.61 111.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.667 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -62.31 162.89 16.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.11 152.05 39.78 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.501 1.79 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -45.26 -35.59 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -50.57 -43.33 56.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.667 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.3 m95 -65.07 -61.45 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.9 tttt 63.5 78.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.8 mmt -83.32 159.69 21.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -168.9 38.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -88.85 -20.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -33.84 76.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -84.09 -29.43 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.94 -18.72 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.42 -65.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.05 90.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.9 p -125.1 124.4 41.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.84 157.23 0.38 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 126.87 10.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 159.03 25.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.2 m -120.78 167.65 12.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.2 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -144.92 171.33 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.64 157.19 4.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -150.99 -58.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -146.93 -62.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.05 152.78 12.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.572 1.17 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt 54.8 77.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.56 168.83 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 3.1 m-20 -152.98 129.61 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.6 pt-20 -87.45 -48.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.217 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 17.0 mt -77.96 -50.57 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -53.17 142.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.634 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.26 12.11 49.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.713 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tttt -132.89 152.77 51.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.8 t -73.0 147.15 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' ALA . 14.4 m -145.28 166.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 66.8 p -104.61 128.93 52.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.681 HG11 ' HE1' ' A' ' 29' ' ' TYR . 6.8 t -100.91 125.29 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.2 t -90.69 128.07 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.8 136.58 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.93 -18.43 59.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 m -92.93 -23.06 18.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.81 90.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -44.46 -36.09 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -68.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.27 127.92 18.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 70' ' ' VAL . 37.7 p-90 -143.75 145.48 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.806 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -129.93 147.66 66.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.876 ' HD2' HD11 ' A' ' 55' ' ' ILE . 18.3 Cg_endo -74.94 149.54 37.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.03 135.47 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 15' ' ' LYS . 51.0 tp -91.35 118.55 30.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.0 t -58.63 146.12 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.2 pt -154.58 -171.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -128.32 146.71 60.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -54.94 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.74 -60.3 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -47.32 144.98 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 -55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' THR . 37.9 m-20 -43.41 -55.38 4.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 42' ' ' ILE . 4.3 mt -70.33 61.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' ASP . 3.2 m -56.02 142.35 36.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.6 t -103.13 155.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -109.38 -156.45 0.59 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -94.69 -24.47 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.79 20.65 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -139.79 155.2 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 154.25 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' A' ' 59' ' ' PHE . 25.3 tp -86.01 149.25 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.8 m -146.8 163.79 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 3.8 tpp180 -116.25 108.64 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -65.84 153.21 42.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 16' ' ' VAL . 51.0 m-85 -111.8 6.26 19.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.613 1.196 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.876 HD11 ' HD2' ' A' ' 30' ' ' PRO . 5.0 mp -94.17 -64.61 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -99.18 -9.12 24.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.393 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p 64.95 43.6 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -115.05 173.2 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 50' ' ' LEU . 89.1 m-85 -96.32 147.46 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.795 ' HB3' HD11 ' A' ' 62' ' ' ILE . 71.0 m-85 -148.39 148.63 30.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.56 101.83 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.86 178.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -97.79 134.07 41.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -23.54 6.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -23.58 61.89 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -87.34 -22.81 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 19' ' ' VAL . 13.9 mt -86.54 141.29 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.0 141.56 17.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.234 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -37.99 148.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 7.2 p -144.94 148.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.7 m-20 -109.09 85.2 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.3 mm -77.51 -46.68 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.662 HD21 ' HG2' ' A' ' 94' ' ' LYS . 8.1 mt -64.9 -10.17 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 51.3 t30 -100.98 12.09 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 86' ' ' LEU . 59.5 mt -92.17 153.63 43.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -25.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.84 -52.46 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.569 ' OE2' HD22 ' A' ' 75' ' ' LEU . 3.4 mt-10 -60.26 -51.14 70.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -53.46 -55.81 22.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -50.16 -51.73 41.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 78' ' ' SER . 70.9 p -74.31 -84.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.3 124.38 1.74 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.19 -51.61 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 75' ' ' LEU . 74.0 mt -50.5 -49.25 56.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -50.2 -57.56 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.21 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -39.57 -56.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.045 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 95' ' ' THR . 9.6 mt -49.12 -43.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CD1' HG13 ' A' ' 98' ' ' VAL . 73.5 t80 -70.31 -14.27 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.3 mt -91.98 -10.64 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.662 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.51 -50.57 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' VAL . 33.2 p -79.48 -12.17 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 1.9 mmm-85 37.28 51.12 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 97' ' ' VAL . 9.6 p -168.86 106.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.723 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.23 163.08 15.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.39 42.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.16 -35.03 10.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -52.25 -25.46 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.786 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 m0 -92.64 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.14 67.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.455 ' HG2' HG21 ' A' ' 98' ' ' VAL . 3.3 mmt -48.71 176.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.81 -43.56 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.34 -32.85 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -60.16 -16.49 33.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -95.59 -17.22 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.7 mt -83.93 -28.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 mt -47.01 -67.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 66.25 132.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -104.13 86.26 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.43 155.34 26.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.819 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.9 t -82.21 -53.3 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 m -73.69 156.36 38.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.023 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.1 mt -89.45 -44.32 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.05 148.99 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.716 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 78.89 1.46 84.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -123.56 164.39 19.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.052 HG22 ' CE2' ' A' ' 54' ' ' PHE . 29.2 t -73.66 139.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.0 m -142.2 158.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -99.63 124.63 45.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.6 t -97.54 127.49 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.1 t -89.17 126.03 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 143.8 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.52 -24.58 34.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.068 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -87.56 -17.63 31.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -157.63 90.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -46.24 -25.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -68.56 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.45 129.79 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CH2' HD21 ' A' ' 86' ' ' LEU . 35.8 p-90 -143.48 145.79 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.8 147.18 64.45 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.97 148.76 35.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.799 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -161.25 135.71 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD11 ' C ' ' A' ' 14' ' ' GLY . 27.1 tp -91.32 101.45 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 34' ' ' ILE . 42.0 t -49.14 150.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.0 pt -163.63 177.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 t -116.83 146.68 38.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.72 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.27 -60.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.63 -63.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -53.16 132.39 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.62 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -51.12 -41.78 60.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.7 mm -47.38 95.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.8 m -84.13 116.52 22.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.71 116.67 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 168.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.87 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.11 24.52 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -126.92 162.25 26.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.246 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 151.2 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.0 tp -85.85 139.03 31.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.543 HG12 HG22 ' A' ' 33' ' ' VAL . 14.2 m -135.6 164.53 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.379 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 8.3 ttt180 -118.67 109.66 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 t -62.58 154.33 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.052 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.9 m-85 -111.72 12.15 21.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 98.3 mt -101.41 -64.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.16 -7.93 17.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t 64.38 49.34 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -107.47 160.04 15.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -94.43 110.4 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.678 ' HB3' HD11 ' A' ' 62' ' ' ILE . 87.8 m-85 -113.11 155.14 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.793 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.95 100.65 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.062 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.793 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.94 178.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.27 135.7 41.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.5 mmm180 -56.5 -17.66 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -14.01 58.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.747 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -96.0 -16.54 21.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 64' ' ' ARG . 31.1 mt -88.59 157.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -168.77 135.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -38.27 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 72' ' ' ILE . 5.6 p -146.52 163.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.9 OUTLIER -119.56 82.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.559 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.7 mm -79.62 -40.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -75.12 -2.32 27.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.73 -7.42 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 72' ' ' ILE . 19.1 mt -68.13 157.03 88.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.22 40.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.4 OUTLIER -58.46 -20.32 44.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -69.69 -44.2 70.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' LYS . 67.1 mm-40 -70.27 -46.22 64.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' OG ' ' A' ' 90' ' ' SER . 26.3 mt -65.02 -55.64 17.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 42.9 t -46.63 -24.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -105.91 -87.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.697 ' CB ' HD12 ' A' ' 86' ' ' LEU . 2.2 mptp? -39.85 120.28 1.44 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.568 1.825 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.27 -31.11 1.35 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 ' CB ' ' A' ' 83' ' ' LYS . 86.2 mt -79.54 -61.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -38.73 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.86 -54.74 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.51 -51.73 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.651 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -58.81 -48.01 82.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -49.14 -45.04 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CD1' HG13 ' A' ' 98' ' ' VAL . 47.6 t80 -69.28 -13.93 62.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.65 -10.08 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.69 -47.27 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 97' ' ' VAL . 43.6 p -82.17 -14.34 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 40.4 48.54 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 p -162.14 106.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.33 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 157.33 42.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.25 -17.96 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.2 -16.33 63.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.7 m0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 107.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 69' ' ' GLU . 11.2 mt -76.36 -48.57 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -72.15 149.09 45.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.685 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 80.92 0.04 87.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -124.48 164.32 19.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.914 HG22 ' CE2' ' A' ' 54' ' ' PHE . 53.9 t -73.77 135.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' ALA . 6.9 m -134.45 164.6 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.544 ' HB3' HG21 ' A' ' 70' ' ' VAL . 4.6 p -104.34 120.05 40.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 58.7 t -90.9 135.95 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 66' ' ' ASP . 20.3 t -100.18 127.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 3.6 t -76.46 128.96 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -72.08 -8.69 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 2.2 mt-10 -138.25 58.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' SER . 7.0 mtt-85 -41.05 -28.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -73.46 -73.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.22 133.12 12.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 43.7 p-90 -142.66 141.25 31.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.772 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 p90 -124.56 149.42 61.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.677 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.92 151.05 39.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.74 135.95 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.685 HD11 ' C ' ' A' ' 14' ' ' GLY . 49.4 tp -91.1 114.41 26.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 17' ' ' VAL . 81.5 t -65.23 151.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.594 HD13 ' HE ' ' A' ' 52' ' ' ARG . 3.2 pt -151.92 -172.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 t -126.84 128.77 24.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.81 3.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -102.51 -52.9 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -67.5 138.34 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.44 -61.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 6.9 m-20 -45.25 -44.2 11.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mm -48.29 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.1 m -90.31 117.29 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -110.18 128.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.87 178.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.19 -2.91 58.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.5 24.81 7.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt-30 -134.97 162.55 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.73 128.38 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -129.33 159.26 41.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -115.51 111.76 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 t -66.66 152.43 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.914 ' CE2' HG22 ' A' ' 16' ' ' VAL . 41.9 m-85 -110.5 12.32 22.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 77.2 mt -102.26 -64.48 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -99.17 -9.42 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.6 p 64.38 44.39 4.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -112.04 164.59 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -97.87 118.53 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.8 m-85 -119.88 152.53 37.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 6.8 t -116.89 106.68 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.49 178.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.09 136.24 38.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.04 -22.86 4.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -70.95 -27.11 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -83.77 -24.33 31.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.3 mt -84.6 140.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.67 144.55 19.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 12' ' ' LEU . 8.3 mt-10 -37.92 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 18' ' ' SER . 3.3 p -145.57 156.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -120.66 78.43 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.496 HD12 HD22 ' A' ' 86' ' ' LEU . 4.3 mm -73.18 -43.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 73' ' ' LEU . 2.7 mt -71.99 -5.22 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -106.75 6.67 29.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 86' ' ' LEU . 20.1 mt -87.06 156.54 54.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 137.61 21.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.0 -29.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -57.29 -47.51 81.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LYS . 66.1 mm-40 -65.99 -48.72 70.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.795 HD22 ' OG ' ' A' ' 90' ' ' SER . 41.5 mt -57.87 -55.03 40.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -47.71 -35.72 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 78' ' ' SER . 71.5 p -93.07 -86.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.674 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.59 117.72 1.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.448 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -51.63 -42.87 52.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 30' ' ' PRO . 27.1 mt -70.54 -54.26 12.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -37.66 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -55.73 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.665 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -43.71 -53.04 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.795 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.5 -49.62 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.05 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -49.04 -48.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 2.7 t80 -65.76 -14.12 60.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -92.06 -9.93 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.53 -48.52 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 26.4 p -81.47 -10.8 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 37.93 34.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 5.5 p -137.86 101.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.23 163.44 14.04 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 151.99 40.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -30.4 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.87 -27.91 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.725 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.6 m0 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 108.041 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 mt -86.71 -35.52 19.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.76 150.34 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 67.0 13.29 61.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.48 160.07 32.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 0.761 . . . . 0.0 109.353 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 54' ' ' PHE . 8.1 t -79.24 142.3 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.6 m -142.37 157.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.478 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 26.7 p -99.56 128.5 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.8 t -99.57 132.48 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.2 t -94.79 129.66 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.6 121.07 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -19.47 64.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 m -96.86 -12.72 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -160.39 82.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.0 mmt85 -42.27 -35.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -58.0 -72.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -49.73 128.38 17.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 38.6 p-90 -143.78 145.53 32.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.716 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.16 148.09 68.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.01 151.7 39.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.77 137.02 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 15' ' ' LYS . 40.3 tp -91.18 110.99 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -53.59 147.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 33' ' ' VAL . 24.5 pt -154.62 -177.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -124.12 142.16 39.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -52.28 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -52.34 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -45.99 133.17 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -129.73 -56.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -45.27 -56.04 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 42' ' ' ILE . 44.6 mm -70.3 61.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -55.48 113.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 48' ' ' GLN . 78.8 t -77.84 137.4 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -80.28 -153.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -97.83 -34.03 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.55 23.0 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mt-30 -134.77 147.74 50.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 151.88 45.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.238 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.76 125.93 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.5 m -118.84 172.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 2.9 ttt180 -126.51 106.24 9.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -62.12 153.8 28.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.105 ' CE2' HG22 ' A' ' 16' ' ' VAL . 50.9 m-85 -110.08 14.62 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 79.0 mt -100.66 -63.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -105.38 -12.53 15.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 69.33 47.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.03 163.86 12.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -99.17 114.93 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 62' ' ' ILE . 64.0 m-85 -120.54 151.89 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.817 ' C ' HD13 ' A' ' 62' ' ' ILE . 3.9 t -117.9 103.19 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.81 178.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.49 134.81 40.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.6 mmm180 -49.87 -22.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -70.29 -42.67 71.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -69.15 -20.68 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 19' ' ' VAL . 39.0 mt -89.15 150.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.9 138.13 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.0 tm-20 -37.84 149.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.77 150.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -107.2 84.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.7 mm -79.09 -40.9 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 mt -72.43 -5.52 37.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.45 12.19 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.718 HD13 HD13 ' A' ' 86' ' ' LEU . 29.6 mt -87.89 156.08 52.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.09 29.72 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 -22.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -59.39 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' LYS . 9.3 mt-10 -53.65 -46.97 70.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' OG ' ' A' ' 90' ' ' SER . 22.7 mt -64.53 -50.03 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 t -53.04 -20.31 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -113.53 -88.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.15 117.43 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.01 -38.64 31.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 30' ' ' PRO . 81.4 mt -73.3 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -36.58 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -63.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.19 -49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.622 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -60.98 -47.28 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 95' ' ' THR . 11.8 mt -49.92 -42.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.388 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.83 -13.06 61.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.609 1.193 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.7 mt -92.9 -10.83 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.64 -50.25 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 HG23 ' A' ' 91' ' ' ILE . 31.0 p -79.67 -15.93 56.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 41.07 48.55 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 97' ' ' VAL . 12.9 p -163.53 109.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.467 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.31 163.04 15.55 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.97 155.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.69 -26.58 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.98 -36.69 72.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HG3' HD23 ' A' ' 12' ' ' LEU . 8.5 pt-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.532 HD21 ' OE2' ' A' ' 69' ' ' GLU . 38.0 mt -77.18 -34.96 56.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -78.98 147.75 32.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.765 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 78.58 3.5 86.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.74 166.62 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.108 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.1 t -73.25 134.92 28.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.9 m -139.92 158.32 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.526 ' OG ' ' CE3' ' A' ' 28' ' ' TRP . 43.8 t -99.09 134.79 41.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.686 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.7 t -109.05 124.84 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.8 t -82.33 124.22 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 137.59 53.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.1 62.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -78.52 -25.66 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.63 94.34 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' O ' HG13 ' A' ' 20' ' ' VAL . 15.7 mmt180 -44.73 -40.28 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -57.34 -68.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -46.2 131.1 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.165 . . . . 0.0 110.358 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CE3' ' OG ' ' A' ' 18' ' ' SER . 42.2 p-90 -143.89 144.66 31.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -130.28 145.59 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.802 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.99 147.56 34.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.853 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -160.12 138.77 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD11 ' C ' ' A' ' 14' ' ' GLY . 36.1 tp -94.91 104.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 34' ' ' ILE . 51.0 t -53.49 148.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.8 pt -160.14 -176.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 t -123.77 129.53 24.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -52.87 62.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 -61.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 108.348 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -48.68 147.66 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -140.85 -54.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -50.46 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.2 mp -70.19 61.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -52.34 143.79 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 49' ' ' CYS . 53.1 t -114.62 132.26 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 166.99 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.15 64.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.71 24.39 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.41 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -132.6 161.75 33.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -152.12 147.64 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.265 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 59' ' ' PHE . 12.7 tp -85.1 123.68 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.624 HG12 HG22 ' A' ' 33' ' ' VAL . 16.3 m -117.67 160.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.513 ' HD3' ' CE3' ' A' ' 102' ' ' TRP . 11.1 ttt180 -112.48 110.11 20.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -62.53 154.33 29.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.108 ' CE2' HG22 ' A' ' 16' ' ' VAL . 35.6 m-85 -111.9 9.28 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.439 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.0 mt -96.65 -64.78 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.56 -10.51 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.421 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 9.6 p 67.98 50.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.6 -179.27 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.448 ' HB3' HD11 ' A' ' 50' ' ' LEU . 94.4 m-85 -113.38 117.07 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 62' ' ' ILE . 92.0 m-85 -119.08 156.22 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.799 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -118.72 99.47 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.29 178.74 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.478 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -101.08 134.57 43.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.0 mtm180 -54.11 -20.56 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 pttt -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -79.28 -18.69 52.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 64' ' ' ARG . 24.9 mt -85.94 145.62 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.74 136.16 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE2' HD21 ' A' ' 12' ' ' LEU . 13.6 mt-10 -38.75 146.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HG12 ' A' ' 72' ' ' ILE . 6.0 p -146.56 147.98 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.1 m-20 -105.95 81.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.815 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.0 mm -76.22 -37.8 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -73.75 -2.52 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 24.0 t30 -103.13 -10.13 19.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 86' ' ' LEU . 46.7 mt -65.46 153.39 90.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.01 33.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -22.7 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.48 -48.25 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 57.8 mm-40 -66.22 -43.94 85.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.543 HD22 ' OG ' ' A' ' 90' ' ' SER . 45.8 mt -64.42 -59.66 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -44.31 -26.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 78' ' ' SER . 47.4 p -103.05 -88.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.616 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.9 117.04 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.439 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -54.71 -42.45 77.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.802 HD23 ' HG3' ' A' ' 30' ' ' PRO . 20.3 mt -71.28 -51.32 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.87 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.77 -45.79 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HG21 ' A' ' 72' ' ' ILE . . . -57.01 -48.58 78.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.815 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -64.42 -46.59 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -47.55 -49.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 27.1 t80 -66.71 -13.14 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.1 mt -93.04 -9.97 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.688 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.87 -50.61 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.45 HG21 HG23 ' A' ' 91' ' ' ILE . 18.5 p -78.89 -28.3 44.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 10.4 mmm180 56.49 40.68 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.28 101.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.454 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.24 163.13 15.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.0 Cg_endo -75.07 150.65 38.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.01 -24.79 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.187 . . . . 0.0 109.35 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.84 -16.29 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.513 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 8.9 m0 . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -89.8 -36.43 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -81.37 149.03 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.718 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.45 1.54 76.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.57 170.0 10.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 54' ' ' PHE . 88.9 t -74.02 146.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.456 HG21 HG21 ' A' ' 67' ' ' ILE . 8.2 m -150.24 163.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.02 116.38 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 29' ' ' TYR . 55.0 t -90.87 119.57 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.6 t -83.61 125.98 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -68.57 125.1 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.37 64.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.3 m -77.02 -7.84 56.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.476 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -142.2 80.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.33 -20.33 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -82.43 -80.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.29 133.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.286 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CH2' HD21 ' A' ' 86' ' ' LEU . 45.5 p-90 -143.8 141.28 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.2 p90 -126.11 148.66 64.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.03 149.27 36.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.54 138.93 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 14' ' ' GLY . 17.0 tp -91.29 111.13 22.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 83.3 t -64.0 141.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.4 pt -159.13 -175.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -124.09 147.64 55.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.573 1.828 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -60.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.38 -63.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.73 118.92 2.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -103.03 -58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.87 -49.26 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.1 mm -40.37 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -84.28 114.83 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.73 128.67 66.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -64.24 -170.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -87.52 -39.13 15.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 24.91 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -125.32 153.53 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.83 149.62 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' ILE . 31.0 tp -85.6 113.77 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG12 HG22 ' A' ' 33' ' ' VAL . 5.2 m -111.77 156.22 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 4.2 ttt180 -115.33 110.06 18.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -62.14 153.22 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 16' ' ' VAL . 43.3 m-85 -109.79 11.74 24.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 90.0 mt -96.82 -64.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -101.54 -7.95 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 p 64.6 50.0 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -115.42 174.32 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 93.2 m-85 -106.01 127.09 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.9 m-85 -125.17 157.65 35.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.35 98.62 6.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.66 178.65 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.85 141.1 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.83 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -19.46 58.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -93.49 -16.94 23.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG21 HG21 ' A' ' 17' ' ' VAL . 18.9 mt -88.66 135.17 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.203 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -150.51 139.14 20.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -38.54 153.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 71' ' ' ASP . 1.4 p -146.49 171.26 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 72' ' ' ILE . 4.5 mm -66.54 -43.97 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 93' ' ' LEU . 7.6 mt -73.91 -3.81 31.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -112.66 12.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 75' ' ' LEU . 15.7 mt -89.07 157.98 47.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.71 22.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -27.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.75 -57.58 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.3 mt-10 -57.72 -50.85 71.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -50.51 -58.0 6.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -49.38 -58.23 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -67.9 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.827 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.15 116.38 2.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -41.66 -39.9 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 83' ' ' LYS . 90.2 mt -63.44 -69.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -36.18 -59.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -66.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.624 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -45.75 -42.46 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.53 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.8 OUTLIER -62.04 -47.32 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.929 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 mt -49.77 -41.2 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.87 -14.36 61.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 7.2 mt -90.99 -10.27 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.97 -42.69 3.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.3 p -85.95 -40.61 15.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 65.26 38.39 5.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.232 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.95 101.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.571 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.12 163.04 14.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 152.46 40.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -22.78 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.04 -15.45 63.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.2 m0 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 38.7 mt -88.29 -36.66 16.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -75.95 148.44 38.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.24 14.5 66.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -130.52 163.51 26.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 0.715 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.115 HG22 ' CE2' ' A' ' 54' ' ' PHE . 24.9 t -75.66 144.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.5 m -144.34 157.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 p -99.84 126.3 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.595 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 51.7 t -98.99 125.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.5 t -89.07 126.29 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 138.64 47.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -32.08 52.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.8 p -80.54 -21.52 41.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.47 86.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -40.37 -48.74 2.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -47.45 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -48.87 125.8 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CH2' HD21 ' A' ' 86' ' ' LEU . 39.8 p-90 -143.85 145.18 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -132.75 146.78 62.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.93 152.29 40.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.91 143.64 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 15' ' ' LYS . 21.8 tp -96.18 114.69 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.0 t -64.5 144.39 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 9.0 pt -155.72 -173.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -126.39 137.55 30.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 100.28 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p -107.17 -57.79 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 m -70.53 -62.97 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -46.2 167.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.47 -56.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 109.333 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.8 m-20 -50.55 -45.87 57.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.32 90.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.2 m -70.52 116.32 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.482 HG21 ' HG3' ' A' ' 36' ' ' PRO . 69.1 t -104.06 111.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.41 167.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -66.77 -35.89 81.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.95 19.71 12.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -117.77 163.92 15.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.74 148.18 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.9 tp -85.0 119.68 25.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.58 158.19 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 2.5 ttt180 -118.07 108.46 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 t -62.62 154.04 30.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.115 ' CE2' HG22 ' A' ' 16' ' ' VAL . 47.1 m-85 -109.84 14.74 23.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 93.3 mt -98.89 -64.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -105.45 -9.3 17.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t 65.99 54.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 174.2 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 51.7 m-85 -107.62 108.48 19.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 62' ' ' ILE . 94.2 m-85 -110.62 152.06 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.791 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.82 99.48 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.78 178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.78 141.7 34.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -15.48 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -11.97 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -105.98 -22.84 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.9 mt -85.06 137.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -154.93 136.95 14.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 mt-10 -37.43 149.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.8 p -145.09 157.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -111.67 85.01 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.725 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -81.29 -38.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.7 mt -74.42 -1.53 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.6 HD22 ' N ' ' A' ' 74' ' ' ASN . 1.3 m-80 -108.03 6.15 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD13 HD13 ' A' ' 86' ' ' LEU . 43.2 mt -85.0 155.13 61.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.4 31.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.62 -25.35 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -62.66 -55.18 29.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.986 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 29.5 mm-40 -59.86 -39.62 85.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 47.6 mt -66.28 -55.28 16.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -54.82 -31.21 58.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.95 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' SER . 76.4 p -94.16 -87.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.694 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.43 117.57 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.25 -45.06 15.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' CB ' ' A' ' 83' ' ' LYS . 33.8 mt -65.4 -59.1 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -40.23 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -50.42 3.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.67 -48.9 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.725 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -63.16 -44.71 94.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' THR . 7.4 mt -47.05 -51.86 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CD1' HG13 ' A' ' 98' ' ' VAL . 85.5 t80 -64.94 -14.07 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.13 -11.48 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.55 -47.68 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ILE . 12.3 p -81.67 -10.4 59.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 40.54 43.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 95' ' ' THR . 8.7 p -168.87 121.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.687 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -67.18 163.18 48.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.04 151.92 39.95 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -25.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -61.06 -32.68 72.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.687 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.0 m95 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 108.042 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.05 -35.33 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.383 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -80.54 147.84 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.802 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 81.87 -1.33 86.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -119.74 169.29 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.033 HG22 ' CE2' ' A' ' 54' ' ' PHE . 32.1 t -73.44 136.82 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.5 m -137.78 157.37 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.55 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 47.3 p -100.71 128.02 46.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.5 t -98.57 134.85 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -97.95 130.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -73.55 122.3 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.85 77.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -82.33 -11.59 58.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -139.26 69.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -43.81 -26.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.5 m -73.94 -78.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.53 132.1 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CH2' HG21 ' A' ' 70' ' ' VAL . 35.8 p-90 -144.38 145.16 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.059 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.34 148.61 70.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.785 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 150.86 38.74 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.2 139.96 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 15' ' ' LYS . 43.0 tp -91.06 115.32 27.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 51' ' ' VAL . 73.0 t -62.54 147.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.5 pt -158.35 -174.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 146.84 61.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.433 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.4 Cg_endo -75.05 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 m -107.26 -55.93 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.43 -62.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.664 HD21 HD22 ' A' ' 50' ' ' LEU . 24.9 p-10 -50.42 130.54 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.46 -47.12 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.381 1.051 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' THR . 20.2 m-20 -45.7 -53.0 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.3 mp -69.67 63.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ASP . 14.8 m -52.35 126.22 18.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.65 131.16 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 177.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -38.29 28.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -94.51 25.25 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -137.82 162.09 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.55 157.72 44.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 39' ' ' ASN . 20.7 tp -88.55 141.91 28.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.7 m -135.61 166.37 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -124.62 105.95 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.1 t -62.3 153.74 29.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.033 ' CE2' HG22 ' A' ' 16' ' ' VAL . 62.2 m-85 -109.03 15.68 23.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.451 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 80.2 mt -98.71 -64.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -106.31 -10.94 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 m 69.02 50.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.039 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -110.29 171.47 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.29 115.2 29.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.756 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.3 m-85 -115.53 153.75 30.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.36 99.02 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.077 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.74 178.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.2 134.79 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -50.61 -21.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -71.41 -34.6 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.22 -21.0 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.5 mt -86.32 137.38 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.35 135.93 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' LYS . 19.8 mt-10 -36.68 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.4 p -143.99 144.1 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.9 m-20 -102.68 90.39 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.445 HG22 ' CB ' ' A' ' 90' ' ' SER . 5.7 mm -81.54 -43.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HA ' HD23 ' A' ' 73' ' ' LEU . 1.6 mt -69.64 -6.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 46.4 t30 -103.53 5.43 36.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HD13 ' A' ' 86' ' ' LEU . 48.9 mt -82.57 153.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 144.16 30.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -46.38 -27.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -61.48 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -49.14 -42.12 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.542 HD22 ' OG ' ' A' ' 90' ' ' SER . 38.5 mt -65.85 -62.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -45.12 -26.98 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -100.2 -89.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -43.88 120.16 3.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.8 -42.66 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 30' ' ' PRO . 69.6 mt -66.24 -67.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 0.789 . . . . 0.0 109.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -43.89 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.17 -38.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -75.12 -47.71 27.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.542 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -57.26 -48.33 79.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 95' ' ' THR . 11.2 mt -47.71 -50.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.494 ' HE2' HD13 ' A' ' 32' ' ' LEU . 3.2 t80 -65.71 -13.55 59.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.06 -10.14 40.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.76 -44.19 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.418 ' CB ' HG12 ' A' ' 97' ' ' VAL . 28.0 p -85.98 -9.23 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 37.85 34.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 97' ' ' VAL . 12.3 p -139.13 98.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.462 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.14 163.21 14.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -74.98 156.01 43.03 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -17.92 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.44 -14.84 61.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.798 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 12.9 m0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 107.999 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.29 -40.77 12.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -79.41 148.74 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.766 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.88 1.83 79.91 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.621 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.36 166.5 13.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 54' ' ' PHE . 96.7 t -73.53 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.7 m -136.9 164.92 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.547 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 1.7 p -101.73 123.99 46.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG13 ' OD1' ' A' ' 66' ' ' ASP . 28.0 t -99.25 127.54 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 66' ' ' ASP . 10.7 t -83.96 126.07 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 145.19 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.77 -23.22 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.0 m -90.94 -11.97 37.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.59 86.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.2 mmt180 -39.33 -53.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -45.48 -67.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -47.71 130.05 14.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 42.6 p-90 -142.35 141.48 32.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -124.07 147.4 54.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 149.66 37.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -163.12 139.81 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 14' ' ' GLY . 15.9 tp -91.4 116.2 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 73.5 t -67.62 142.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.2 pt -157.81 -176.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -123.35 147.75 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.76 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -54.19 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -62.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.16 174.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -148.91 -54.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -54.26 -38.38 65.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.532 HG21 HD13 ' A' ' 50' ' ' LEU . 11.1 mm -51.13 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.5 m -77.33 111.06 12.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -108.32 135.33 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.83 171.58 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -78.16 -23.65 47.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.37 23.7 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -142.81 162.4 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 153.55 46.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 42' ' ' ILE . 18.4 tp -85.1 129.76 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.2 m -125.58 154.61 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tpt180 -113.84 111.36 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -62.74 153.99 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.12 ' CE2' HG22 ' A' ' 16' ' ' VAL . 37.3 m-85 -110.24 13.91 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.1 mt -100.54 -64.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -105.88 -12.25 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 0.7 OUTLIER 69.6 50.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -107.71 146.8 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 29.9 m-85 -84.04 103.08 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.692 ' HB3' HD11 ' A' ' 62' ' ' ILE . 27.5 m-85 -109.18 148.02 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.787 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.87 99.8 7.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.787 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.65 178.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -94.25 133.43 37.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -54.29 -19.15 4.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 8.1 ptpt -70.23 -30.84 68.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.899 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.3 p30 -82.49 -13.88 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 19' ' ' VAL . 11.3 mt -87.51 147.42 5.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.897 ' HE2' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -159.34 146.73 17.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.18 146.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.6 p -146.47 143.79 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.212 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -112.16 87.59 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.602 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.1 mm -77.96 -41.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -70.54 -5.53 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 2.0 t30 -109.68 12.63 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 86' ' ' LEU . 19.6 mt -87.52 158.05 51.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.2 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.47 36.74 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -17.54 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -69.7 -54.43 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 109.995 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.7 mt-10 -59.57 -59.57 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 mt -44.56 -57.48 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -47.3 -50.76 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 78' ' ' SER . 80.4 p -78.97 -85.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.534 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -40.52 114.82 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.61 57.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 75' ' ' LEU . 97.3 mt -59.78 -64.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.71 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -39.69 -49.83 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.873 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.602 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -59.41 -46.5 88.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.24 -52.42 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 82.8 t80 -64.13 -14.31 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -90.91 -9.88 44.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.03 -46.13 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -82.94 -36.84 24.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm-85 61.51 46.93 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 97' ' ' VAL . 11.9 p -160.34 102.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.656 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -61.94 163.21 13.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.06 150.64 38.19 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -22.03 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.68 -21.89 66.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.656 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.0 m0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.7 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 34.9 mt -83.88 -38.35 21.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -75.16 146.53 41.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 70.64 14.77 72.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -130.47 158.71 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.006 HG22 ' CE2' ' A' ' 54' ' ' PHE . 30.0 t -78.91 144.54 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 67' ' ' ILE . 28.3 m -140.26 168.14 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.474 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p -98.43 114.64 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 29' ' ' TYR . 80.4 t -92.2 112.57 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.7 t -77.96 119.6 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.207 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.14 125.85 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.84 69.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 m -81.01 -15.4 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -161.06 89.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.0 mtm180 -40.29 -57.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -42.89 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -46.72 128.46 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.5 p-90 -143.6 145.17 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.053 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -132.02 146.0 59.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.57 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 144.89 30.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -156.31 141.76 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 15' ' ' LYS . 14.1 tp -91.15 121.26 32.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG12 ' CD2' ' A' ' 13' ' ' LEU . 49.8 t -72.04 142.84 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.3 pt -154.49 -173.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 p -126.83 145.47 53.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 95.64 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -105.36 -60.56 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.936 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 t -78.33 -57.05 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 40' ' ' ASP . 6.9 t30 -55.0 163.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 15.3 m-20 -157.08 -49.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -46.54 -59.03 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.7 mt -69.41 62.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ASP . 13.2 t -52.25 147.25 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 50' ' ' LEU . 92.9 t -113.28 125.82 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -63.64 173.01 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.23 69.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.28 25.09 7.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -134.85 162.61 31.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -148.73 144.65 27.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' HG21 ' A' ' 44' ' ' VAL . 21.6 tp -85.38 121.98 28.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' LEU . 19.0 m -118.23 170.69 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 8.3 ttt85 -128.3 109.59 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.96 153.26 29.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.006 ' CE2' HG22 ' A' ' 16' ' ' VAL . 42.9 m-85 -109.15 12.22 25.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.445 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.8 mt -96.01 -62.41 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -103.19 -10.98 18.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.412 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 5.4 m 68.6 48.5 0.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -113.65 159.11 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 89.7 m-85 -92.49 131.36 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -137.71 155.96 48.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 5.6 t -118.01 107.98 14.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.3 178.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -98.87 134.83 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.6 -25.46 6.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.22 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 4.2 ptpt -66.61 -35.8 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.79 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -68.68 -21.98 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.393 1.058 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 64' ' ' ARG . 30.2 mt -84.75 148.8 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.652 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -158.5 27.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.375 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 8.8 tm-20 61.96 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.5 p -145.28 148.38 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -109.88 87.12 2.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.618 1.199 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.565 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.2 mm -74.73 -42.41 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.7 mt -69.4 -7.44 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -105.24 12.11 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 86' ' ' LEU . 36.4 mt -92.65 155.38 42.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.17 25.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -46.27 -29.08 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -56.08 -54.88 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.3 mt-10 -59.95 -57.02 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.7 mt -44.54 -57.71 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -44.34 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' SER . 82.4 p -85.92 -88.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.429 1.081 . . . . 0.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.543 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -39.97 114.37 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.7 -40.61 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 75' ' ' LEU . 95.1 mt -66.23 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -38.28 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.06 -49.69 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -57.23 -49.48 75.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.07 -46.95 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 mt -46.85 -51.15 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -65.8 -15.09 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mt -89.56 -10.74 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.08 -43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.9 p -83.99 -37.71 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 63.41 46.12 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 97' ' ' VAL . 14.4 p -164.54 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.578 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.55 163.26 15.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.0 147.68 34.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -25.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.77 -34.05 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.5 m0 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -92.14 -36.75 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -83.08 148.56 27.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.752 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 76.83 2.17 75.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.682 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.0 161.89 20.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 0.721 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 54' ' ' PHE . 54.5 t -73.49 127.19 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.2 m -127.8 157.94 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 p -99.47 125.67 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 29' ' ' TYR . 5.3 t -96.7 132.45 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.3 t -96.35 129.64 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -73.31 124.02 24.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.2 -51.6 66.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.1 m -76.52 -12.64 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -136.81 93.81 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.51 -11.22 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -91.99 -71.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 21' ' ' SER . 11.8 mm-40 -46.34 132.66 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 86' ' ' LEU . 34.4 p-90 -144.12 145.64 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.987 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -130.91 148.37 69.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 146.02 32.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -158.76 135.73 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD11 ' C ' ' A' ' 14' ' ' GLY . 16.7 tp -91.26 109.67 20.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.651 HG23 HG21 ' A' ' 17' ' ' VAL . 41.6 t -58.25 138.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.87 -173.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -129.03 146.52 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.0 Cg_endo -75.03 95.88 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.44 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -55.44 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 36' ' ' PRO . 6.0 p30 -57.78 133.99 55.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.4 -50.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.76 -50.2 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.0 mt -70.07 62.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASP . 10.3 t -52.35 143.33 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.32 131.06 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.16 -174.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -83.68 -38.32 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 25.27 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -134.63 164.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.8 150.51 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.3 tp -84.94 129.33 34.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 m -127.56 157.24 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 t -62.19 152.78 32.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.171 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.2 m-85 -108.3 16.93 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -99.96 -65.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -106.46 -9.12 16.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 5.9 p 67.89 47.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -108.64 171.25 7.53 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -95.57 127.95 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.806 ' HB3' HD11 ' A' ' 62' ' ' ILE . 81.2 m-85 -129.19 148.55 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.836 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -117.41 101.65 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.836 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.07 178.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.05 133.24 44.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -18.7 6.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.63 -15.03 59.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.752 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -97.62 -19.56 18.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG22 ' A' ' 19' ' ' VAL . 35.0 mt -85.12 150.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -162.96 137.04 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' LYS . 9.2 tm-20 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.6 127.52 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 74' ' ' ASN . 21.4 p-10 -93.02 87.6 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG22 ' CB ' ' A' ' 90' ' ' SER . 4.7 mm -72.51 -40.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.533 HD21 ' HE3' ' A' ' 94' ' ' LYS . 2.9 mt -66.26 -9.75 35.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB2' ' A' ' 71' ' ' ASP . 8.2 t30 -93.49 -3.31 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 75.5 mt -82.04 153.81 69.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.51 43.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.1 OUTLIER -58.03 -16.75 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -70.12 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.961 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 45.8 mm-40 -53.39 -45.73 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.77 HD22 ' OG ' ' A' ' 90' ' ' SER . 34.8 mt -64.24 -54.89 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 30.4 t -49.47 -22.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 78' ' ' SER . 69.4 p -104.75 -85.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.79 118.15 1.29 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.33 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.92 -45.5 96.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 54.5 mt -66.51 -56.29 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.364 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -36.92 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -42.9 -53.81 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.808 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -50.07 -56.61 10.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.77 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -56.7 -49.07 76.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.4 mt -47.59 -49.9 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 98' ' ' VAL . 41.2 t80 -66.49 -14.09 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.4 mt -91.32 -9.61 44.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.47 -44.88 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.72 -32.07 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 5.2 mmm180 58.27 38.83 26.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' VAL . 7.2 p -153.06 98.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -61.9 163.23 13.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -75.03 149.81 37.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -24.96 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.62 -16.59 26.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.43 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.1 m0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 107.968 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -90.34 -40.4 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -78.56 148.68 33.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.717 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 80.94 -1.35 84.73 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.56 171.49 8.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 54' ' ' PHE . 38.8 t -73.48 138.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 HG23 ' A' ' 33' ' ' VAL . 18.9 m -140.48 157.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 29.8 p -100.57 127.77 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 67' ' ' ILE . 29.8 t -99.68 121.28 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -82.78 131.36 33.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -64.39 136.15 56.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.01 99.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 23' ' ' THR . 30.4 m -102.6 26.04 8.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' SER . 2.0 mt-10 -173.12 110.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 mpt_? -81.42 -15.3 55.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -82.81 -58.4 2.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.145 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.76 117.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.64 ' CH2' HD21 ' A' ' 86' ' ' LEU . 50.4 p-90 -135.85 154.24 51.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 1.012 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -136.39 142.03 38.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.95 143.24 28.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.012 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -157.28 144.92 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD11 ' O ' ' A' ' 14' ' ' GLY . 36.6 tp -94.58 114.46 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.8 t -66.86 146.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.775 HG21 HH21 ' A' ' 52' ' ' ARG . 2.6 pt -158.73 -172.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 p -126.48 131.67 24.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 70.19 5.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -57.48 2.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.061 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -30.54 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -90.38 162.46 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -141.4 -53.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.7 m-20 -50.72 -37.67 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mm -56.84 88.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 21.9 m -77.62 104.77 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.65 139.83 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -73.92 169.86 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.62 -2.45 42.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -122.27 21.55 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.7 164.79 27.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.63 152.4 37.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 108.209 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -88.3 129.27 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG23 ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -128.48 163.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.775 HH21 HG21 ' A' ' 34' ' ' ILE . 4.7 mtm180 -119.71 108.84 14.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -63.74 153.89 34.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.085 ' CE2' HG22 ' A' ' 16' ' ' VAL . 52.0 m-85 -109.36 10.94 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 97.6 mt -95.47 -63.94 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -102.09 -7.51 22.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.1 m 64.71 52.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 mmtt -115.59 173.8 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.6 m-85 -108.27 105.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 62' ' ' ILE . 97.7 m-85 -110.52 148.6 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 62' ' ' ILE . 9.5 t -117.02 105.99 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.02 178.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -88.03 138.16 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -58.99 -14.94 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.0 p30 -81.67 -17.19 48.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 19' ' ' VAL . 25.7 mt -87.21 131.36 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.54 138.02 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LYS . 10.4 tm-20 -37.01 141.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.1 p -142.98 133.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.2 m-20 -92.58 88.86 6.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -79.49 -46.33 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.644 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -66.72 -9.3 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 55.5 t30 -96.88 3.77 51.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 73.9 mt -85.94 153.92 57.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.9 30.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -45.87 -26.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.8 -60.23 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.4 mm-40 -53.02 -48.66 67.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.47 -57.42 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -46.45 -43.59 16.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 78' ' ' SER . 81.4 p -82.94 -83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -47.83 121.41 8.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.86 -52.7 11.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 70.1 mt -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -53.73 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -39.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.34 68.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.644 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -61.73 -45.88 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.0 mt -47.51 -51.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD1' HG13 ' A' ' 98' ' ' VAL . 11.0 t80 -64.73 -14.71 59.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.594 1.184 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -90.57 -10.62 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.52 -48.58 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.9 ' O ' HG12 ' A' ' 97' ' ' VAL . 23.3 p -81.74 -5.99 58.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 23.0 mmt180 37.17 34.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.9 HG12 ' O ' ' A' ' 95' ' ' THR . 4.1 p -146.21 117.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -82.57 163.26 52.75 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.23 42.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 102' ' ' TRP . 4.1 m-20 -47.53 -35.61 9.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -49.84 -23.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 8.9 m0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 13.8 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -74.94 -41.11 60.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.6 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -70.15 144.4 52.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.588 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 73.9 15.79 79.56 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.14 159.16 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.22 HG22 ' CE2' ' A' ' 54' ' ' PHE . 43.0 t -73.54 130.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' ALA . 17.2 m -134.07 160.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 83.9 p -98.86 131.97 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 62' ' ' ILE . 38.5 t -103.47 125.15 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' ASP . 19.5 t -89.84 128.32 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -71.23 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.87 82.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.1 m -84.16 0.08 50.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -150.39 80.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.227 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -54.69 -18.79 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -81.91 -75.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.32 132.0 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.4 p-90 -144.23 146.79 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.902 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.4 p90 -133.53 149.46 72.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.436 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 134.63 17.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.902 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -145.69 136.87 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 15' ' ' LYS . 31.9 tp -91.06 110.88 22.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 17' ' ' VAL . 61.9 t -58.21 143.48 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.2 pt -156.85 178.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -121.04 145.68 42.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 99.31 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.63 -59.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.079 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -85.6 -39.66 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.271 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -70.06 113.81 7.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -110.45 -55.45 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.95 -55.17 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.3 mt -70.25 61.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.6 t -52.22 145.91 10.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.25 127.7 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 164.25 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.4 75.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.4 25.49 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.62 162.29 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.92 154.71 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 60' ' ' TYR . 29.6 tp -87.12 136.76 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 5.0 m -133.69 158.82 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.502 ' HD2' HD13 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -119.22 105.56 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -63.84 134.09 54.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.22 ' CE2' HG22 ' A' ' 16' ' ' VAL . 56.8 m-85 -88.47 20.45 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.1 mt -100.11 -64.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -102.39 -7.09 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t 65.04 42.9 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -108.09 -171.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 73.6 m-85 -117.13 128.6 55.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 62' ' ' ILE . 73.1 m-85 -127.47 156.55 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.818 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.19 101.28 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.818 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.75 178.59 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.46 138.11 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -21.64 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -74.93 -26.62 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -84.13 -20.96 31.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mt -86.19 143.33 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -159.81 139.79 11.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -37.27 147.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 4.2 p -146.53 138.91 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -101.46 87.28 3.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.52 HG22 ' HB3' ' A' ' 90' ' ' SER . 4.3 mm -79.56 -39.62 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.047 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.8 mt -73.49 -4.18 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -109.6 12.57 24.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 86' ' ' LEU . 23.9 mt -89.08 156.54 49.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.55 35.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -20.47 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -62.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.9 mt-10 -52.52 -58.84 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.63 -54.62 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -49.43 -36.16 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' LYS . 70.0 p -94.7 -85.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -36.84 112.9 0.58 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -29.63 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -49.33 40.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 75' ' ' LEU . 80.6 mt -55.82 -60.8 2.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -36.58 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -41.65 -58.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -47.74 -50.15 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.52 ' HB3' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -59.31 -46.88 87.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -48.82 -47.41 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CD1' HG13 ' A' ' 98' ' ' VAL . 81.5 t80 -66.8 -13.23 61.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.8 mt -93.67 -9.35 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.54 -46.61 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -83.0 -23.57 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 19.6 mmm180 49.95 41.5 23.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.6 p -163.08 105.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.588 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.1 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.98 155.02 42.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -47.47 -39.81 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -48.51 -26.1 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 10.7 m0 . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.648 HD22 HG11 ' A' ' 17' ' ' VAL . 6.4 mt -70.16 -47.31 62.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -62.49 144.61 55.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.689 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 66.15 17.56 65.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 pttt -130.54 155.44 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.143 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.5 t -73.37 135.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.648 HG11 HD22 ' A' ' 12' ' ' LEU . 14.4 m -137.3 159.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.4 p -102.06 128.06 48.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.691 ' CG1' HG21 ' A' ' 62' ' ' ILE . 32.5 t -99.57 130.62 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.2 t -91.99 129.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.4 m -75.21 121.75 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -22.56 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -89.69 -29.16 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.6 pt-20 -145.38 77.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HA ' HG12 ' A' ' 20' ' ' VAL . 18.6 mmt85 -36.62 -32.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . 1.1 m -60.48 -65.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.69 128.85 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.6 p-90 -140.88 143.94 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.817 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -130.56 145.51 57.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.07 149.48 36.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -162.36 139.66 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' C ' ' A' ' 14' ' ' GLY . 32.9 tp -94.27 115.6 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 78.9 t -62.39 151.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.8 pt -160.7 -177.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.1 t -119.71 136.86 25.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.55 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -97.02 -56.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 m -79.68 -56.03 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.22 139.58 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.49 -61.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -45.18 -54.05 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 42' ' ' ILE . 47.6 mm -69.93 62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -52.21 133.73 33.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.59 118.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 157.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -62.83 -38.84 92.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -92.38 23.01 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.59 154.43 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.54 146.96 46.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 108.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 59' ' ' PHE . 28.7 tp -84.98 114.2 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG12 HG22 ' A' ' 33' ' ' VAL . 8.4 m -111.33 153.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NH1' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -111.55 112.23 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -62.67 152.88 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.143 ' CE2' HG22 ' A' ' 16' ' ' VAL . 44.7 m-85 -108.53 16.45 22.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.7 mt -99.85 -64.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -105.93 -12.16 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t 71.36 53.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -114.3 163.56 15.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.651 ' CE2' ' NH1' ' A' ' 52' ' ' ARG . 66.8 m-85 -94.69 118.47 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 62' ' ' ILE . 85.6 m-85 -117.5 151.97 36.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.814 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.85 100.29 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.84 178.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' CG ' ' A' ' 66' ' ' ASP . . . -101.86 136.39 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -55.69 -18.67 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.745 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -101.28 -22.77 14.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 150.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -161.01 137.12 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.36 144.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 72' ' ' ILE . 2.6 p -146.52 143.79 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 25.0 m-20 -104.3 83.93 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 72' ' ' ILE . 4.0 mm -72.64 -39.26 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD21 ' HE3' ' A' ' 94' ' ' LYS . 1.1 mt -69.65 -6.84 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 18.2 t30 -99.64 -3.37 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 86' ' ' LEU . 21.1 mt -75.71 154.32 85.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.42 -29.1 2.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.32 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.6 mt-10 -46.06 -52.79 11.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.882 HD22 ' OG ' ' A' ' 90' ' ' SER . 47.2 mt -53.16 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -44.21 -58.61 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 55.0 p -66.43 -83.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.799 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -49.93 116.02 5.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -45.05 -34.52 4.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 83' ' ' LYS . 25.3 mt -77.99 -53.27 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.15 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.66 -55.62 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -45.83 -49.9 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.882 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.1 -49.46 75.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.956 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.486 HG23 HG21 ' A' ' 95' ' ' THR . 12.5 mt -50.29 -42.31 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CD1' HG13 ' A' ' 98' ' ' VAL . 86.3 t80 -71.08 -13.39 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.0 mt -93.36 -9.97 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.68 -53.77 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 91' ' ' ILE . 16.5 p -78.28 -11.85 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm180 37.25 53.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 97' ' ' VAL . 12.3 p -168.63 108.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.26 163.2 14.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 152.97 41.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -50.79 -27.59 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.64 -18.99 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 107.955 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.5 pt-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.949 HD23 ' HD3' ' A' ' 15' ' ' LYS . 12.1 mt -75.47 -51.83 12.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.96 141.9 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.612 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.74 23.32 68.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.949 ' HD3' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.15 163.65 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.138 HG22 ' CE2' ' A' ' 54' ' ' PHE . 19.1 t -84.89 121.94 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG11 HD22 ' A' ' 12' ' ' LEU . 15.0 m -124.16 168.3 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 78.9 p -103.47 130.99 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.623 HG11 ' HE2' ' A' ' 29' ' ' TYR . 41.0 t -101.75 114.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.4 t -81.99 130.83 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 t -75.91 134.31 40.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.92 60.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.5 p -99.18 -27.2 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.7 tp10 -144.98 81.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.3 mtt180 -37.58 -44.2 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -53.22 -64.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -52.38 124.34 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 42.3 p-90 -143.83 144.71 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 p90 -132.37 147.43 65.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.0 138.1 22.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -147.82 136.02 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 15' ' ' LYS . 17.0 tp -91.22 112.61 24.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 34' ' ' ILE . 68.4 t -58.94 149.96 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.7 pt -159.12 -179.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -123.7 137.78 29.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 67.32 5.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.451 1.763 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -91.87 -59.74 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.09 148.9 45.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -53.79 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 m-20 -53.99 -34.48 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.15 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m -83.41 108.27 16.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.71 127.38 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -169.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -89.11 -41.97 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.32 25.47 3.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 62.5 mt-30 -126.61 164.49 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.72 149.07 30.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 59' ' ' PHE . 62.8 tp -86.7 128.39 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 7.6 m -126.47 174.2 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -132.62 103.53 6.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -62.14 136.83 58.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.138 ' CE2' HG22 ' A' ' 16' ' ' VAL . 70.9 m-85 -89.6 21.81 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 78.9 mt -100.51 -63.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 56.4 t0 -102.95 -20.15 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 3.6 p 78.74 39.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -106.01 179.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.641 ' HB3' HD11 ' A' ' 50' ' ' LEU . 68.2 m-85 -105.69 136.53 45.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.647 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.0 m-85 -139.81 150.58 44.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.816 ' C ' HD13 ' A' ' 62' ' ' ILE . 7.3 t -117.64 105.13 11.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.816 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.52 178.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -98.59 136.22 39.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -56.74 -17.9 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -14.12 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -99.82 -12.36 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.3 mt -96.73 144.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 144.06 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.25 147.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 3.7 p -147.04 147.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -112.52 86.52 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.571 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.5 mm -77.84 -41.44 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 73' ' ' LEU . 1.1 mt -71.48 -6.73 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -103.3 0.74 31.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.542 HD13 HD13 ' A' ' 86' ' ' LEU . 34.1 mt -80.71 154.32 73.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.165 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.26 31.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -52.47 -20.43 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -65.18 -48.2 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mm-40 -67.68 -46.21 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.612 HD22 ' OG ' ' A' ' 90' ' ' SER . 33.4 mt -64.14 -54.75 28.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 45.1 t -48.13 -23.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 78' ' ' SER . 81.7 p -106.23 -85.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.21 122.22 1.3 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -48.72 -53.95 15.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 30' ' ' PRO . 58.1 mt -56.36 -56.9 15.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -36.03 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -61.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.15 -49.52 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.42 -48.74 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 95' ' ' THR . 9.4 mt -48.2 -46.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CD1' HG13 ' A' ' 98' ' ' VAL . 82.2 t80 -68.84 -14.37 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mt -91.5 -9.91 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.39 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.065 . . . . 0.0 109.244 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' ILE . 44.7 p -84.55 -37.09 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 63.59 37.53 10.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 97' ' ' VAL . 6.1 p -155.12 101.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.582 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.01 163.15 14.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -74.99 150.02 37.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.03 -28.14 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.47 -26.69 43.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 8.5 m0 . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.7 pt-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.419 HD23 ' HE2' ' A' ' 15' ' ' LYS . 39.3 mt -85.43 -51.03 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -47.95 152.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.603 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 50.11 21.6 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -134.95 149.66 50.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.717 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.064 HG22 ' CE2' ' A' ' 54' ' ' PHE . 51.4 t -73.18 134.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' ALA . 15.9 m -132.95 162.38 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' VAL . 5.3 p -102.59 122.64 44.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 29' ' ' TYR . 8.7 t -93.93 127.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.1 t -92.11 125.17 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 7.4 t -73.94 127.49 33.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.01 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -76.72 -2.17 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.0 OUTLIER -145.14 72.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -50.06 -23.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -82.66 -69.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.34 132.39 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 39.8 p-90 -143.87 146.19 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.893 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -128.71 146.79 61.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.062 . . . . 0.0 110.989 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.851 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.97 144.09 29.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.893 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.39 138.06 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 15' ' ' LYS . 34.2 tp -91.41 126.41 36.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 34' ' ' ILE . 79.0 t -71.27 140.71 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 33' ' ' VAL . 21.1 pt -157.37 -178.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -122.83 144.9 43.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.53 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -55.29 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -71.9 175.03 6.17 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -60.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.4 m-20 -56.25 -40.44 74.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.46 82.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -80.39 120.1 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -99.68 146.02 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -74.17 -170.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -21.02 17.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -93.08 -20.13 20.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -103.86 163.42 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.26 151.59 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.345 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 tp -85.86 121.56 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.55 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.9 m -116.56 160.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -115.66 111.85 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 t -62.25 153.78 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.064 ' CE2' HG22 ' A' ' 16' ' ' VAL . 28.4 m-85 -111.99 9.43 20.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 92.8 mt -94.79 -64.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.0 -12.75 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p 72.26 50.34 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -107.55 172.95 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -104.53 107.96 19.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 62' ' ' ILE . 90.6 m-85 -109.47 152.81 24.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.778 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.68 99.53 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.33 178.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.79 134.86 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -54.27 -19.69 5.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -20.19 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.5 m-20 -92.22 -17.46 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.9 mt -86.85 147.07 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -160.24 139.84 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.5 mt-10 -38.07 144.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 18' ' ' SER . 4.6 p -143.62 148.06 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -111.91 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.942 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -76.59 -41.14 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.639 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.85 -6.33 40.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -104.08 8.87 36.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 86' ' ' LEU . 57.0 mt -89.93 156.04 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.1 Cg_endo -75.09 135.3 18.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -56.52 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 55.4 mm-40 -55.9 -48.76 75.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.56 -54.34 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -51.72 -45.82 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' SER . 72.0 p -81.7 -85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.637 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.58 118.5 2.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.73 -43.39 6.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.851 HD23 ' HG3' ' A' ' 30' ' ' PRO . 48.7 mt -65.99 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -38.3 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -41.72 -59.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.86 -49.66 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.942 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -61.12 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.93 -50.18 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.8 mt -90.97 -11.01 40.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.7 -41.71 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 61.58 36.51 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 97' ' ' VAL . 13.3 p -153.03 106.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.38 163.3 14.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 153.88 41.98 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -44.82 -45.99 10.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -42.77 -28.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' HG11 ' A' ' 98' ' ' VAL . 10.3 m0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.993 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.4 mt -84.34 -42.95 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.85 149.55 34.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 78.4 1.4 81.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.39 168.9 11.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.734 HG11 ' HB1' ' A' ' 89' ' ' ALA . 72.7 t -74.08 139.66 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' ' 33' ' ' VAL . 12.3 m -148.34 161.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 p -99.42 123.15 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 62' ' ' ILE . 41.6 t -93.41 131.27 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.0 t -95.8 127.75 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 6.5 t -78.5 129.15 34.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.76 4.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 t -71.48 -13.7 61.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.458 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -133.16 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.8 mmt180 -42.3 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -75.43 -74.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -47.46 130.87 13.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CH2' HD21 ' A' ' 86' ' ' LEU . 46.7 p-90 -141.92 143.78 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.9 p90 -126.83 150.31 71.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 151.62 40.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.63 137.7 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 14' ' ' GLY . 19.7 tp -91.14 101.73 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.375 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . 94.2 t -54.51 144.7 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 33' ' ' VAL . 10.7 pt -153.81 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -125.99 142.58 42.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.466 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 18.3 Cg_endo -74.98 86.62 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t -102.74 -60.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -59.07 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.504 ' CB ' HD12 ' A' ' 42' ' ' ILE . 3.4 p30 -62.85 171.34 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -147.87 -59.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 4.7 m-20 -46.66 -50.27 17.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.504 HD12 ' CB ' ' A' ' 39' ' ' ASN . 96.7 mt -40.57 98.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -80.52 116.3 20.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -110.74 115.23 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -51.66 179.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -78.06 -37.85 45.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.12 25.19 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.4 155.63 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 155.52 43.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.376 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.0 tp -85.93 141.89 29.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' VAL . 4.9 m -138.91 163.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -121.37 105.64 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -62.28 153.34 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' A' ' 16' ' ' VAL . 64.8 m-85 -109.9 16.1 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.5 mt -101.28 -64.54 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.08 -8.07 17.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 t 63.83 55.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -116.13 169.01 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 55.5 m-85 -101.1 114.53 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 62' ' ' ILE . 76.9 m-85 -116.52 156.73 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -119.92 101.01 7.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.99 178.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.28 137.87 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.07 9.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.63 -18.31 54.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -92.55 -17.91 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.1 mt -84.84 147.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.97 145.1 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -37.66 151.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 72' ' ' ILE . 14.7 p -133.22 163.52 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 5.8 m-20 -119.29 43.85 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.653 HD12 HD22 ' A' ' 86' ' ' LEU . 15.5 mm -48.54 -61.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.3 mt -67.61 -7.86 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 2.7 m-80 -106.52 10.64 31.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.559 HD22 ' OE1' ' A' ' 79' ' ' GLU . 18.2 mt -91.64 157.29 42.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.73 24.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -26.73 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 82' ' ' THR . 0.6 OUTLIER -57.56 -56.9 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE1' HD22 ' A' ' 75' ' ' LEU . 7.8 mt-10 -59.1 -56.02 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.417 HD22 ' OG ' ' A' ' 90' ' ' SER . 49.3 mt -47.34 -59.68 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 t -45.59 -52.32 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 78' ' ' SER . 68.6 p -75.01 -86.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.712 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.51 116.75 1.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.63 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -49.78 -48.04 37.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 ' CB ' ' A' ' 83' ' ' LYS . 62.3 mt -58.57 -65.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -35.22 -66.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -45.17 -65.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.734 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -44.08 -42.9 6.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -62.08 -48.8 78.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 95' ' ' THR . 9.7 mt -49.01 -43.04 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.497 ' HD2' HG23 ' A' ' 16' ' ' VAL . 84.6 t80 -71.02 -14.52 62.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 72' ' ' ILE . 6.6 mt -91.3 -10.53 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.75 -41.75 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.6 p -85.78 -39.13 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 4.5 mmm180 65.24 35.32 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 97' ' ' VAL . 7.3 p -151.82 103.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -61.86 162.86 14.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASN . 18.5 Cg_endo -75.04 144.14 29.76 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.445 1.761 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -24.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 99' ' ' PRO . 29.5 m-20 -55.31 -33.01 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 18.6 m0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.041 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.8 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.924 HD23 ' HE3' ' A' ' 15' ' ' LYS . 10.7 mt -74.55 -46.94 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 140.97 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.593 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 62.32 26.6 68.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.924 ' HE3' HD23 ' A' ' 12' ' ' LEU . 1.3 tttt -136.25 152.07 50.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.091 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.9 t -72.37 136.22 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 12' ' ' LEU . 14.9 m -136.71 159.7 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -98.99 122.31 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.604 HG11 ' HE1' ' A' ' 29' ' ' TYR . 31.1 t -94.69 122.58 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.9 t -85.37 130.8 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -68.8 137.22 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -60.39 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 23' ' ' THR . 26.7 m -90.13 22.13 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -163.45 62.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -41.22 -38.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -59.73 -73.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.5 130.8 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.201 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.88 143.96 31.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 108.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.822 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.05 147.12 64.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.63 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 146.71 33.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -159.09 138.47 11.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.593 HD11 ' C ' ' A' ' 14' ' ' GLY . 30.8 tp -91.28 118.27 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 34' ' ' ILE . 99.9 t -69.12 146.46 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' VAL . 14.2 pt -153.61 -173.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -125.92 127.26 24.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.053 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 t -102.26 -56.22 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.56 -58.5 3.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -48.87 122.01 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -111.35 -59.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -45.37 -55.33 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 42' ' ' ILE . 7.2 mt -70.94 60.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 t -65.8 142.65 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 50' ' ' LEU . 89.6 t -113.32 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -55.66 -170.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -33.77 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.73 22.13 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -138.9 162.2 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -138.93 151.07 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.321 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 44' ' ' VAL . 23.9 tp -84.93 116.03 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -111.83 155.3 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 ttt180 -114.56 116.52 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -63.43 153.65 34.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.091 ' CE2' HG22 ' A' ' 16' ' ' VAL . 29.0 m-85 -110.43 8.96 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 94.6 mt -93.88 -64.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 57' ' ' SER . 19.2 t70 -105.45 -20.13 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.2 m 82.57 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.03 154.13 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -91.69 119.5 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB3' HD11 ' A' ' 62' ' ' ILE . 84.3 m-85 -121.54 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.813 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.32 100.71 7.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.813 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.24 178.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.74 137.02 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -31.62 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.1 -27.84 67.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.732 ' OD2' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -86.8 -24.96 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.75 139.35 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.88 137.78 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -38.62 142.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.0 p -138.35 154.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.225 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.11 86.94 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.83 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -83.23 -40.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.655 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.0 -5.42 31.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 21.8 m-80 -107.96 12.29 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 86' ' ' LEU . 23.8 mt -87.93 154.83 52.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 144.47 29.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -22.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.88 -49.51 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' LYS . 64.3 mm-40 -65.92 -47.04 76.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.84 -55.65 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.1 t -50.8 -38.65 49.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 78' ' ' SER . 61.1 p -89.2 -88.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 110.444 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -41.47 117.96 1.74 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -53.43 -53.24 36.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 75' ' ' LEU . 84.5 mt -55.01 -59.63 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -61.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.14 -49.16 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.83 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -63.46 -46.34 86.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 95' ' ' THR . 9.4 mt -49.07 -46.67 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.12 -13.97 62.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 mt -90.69 -12.34 37.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.655 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -114.68 -44.06 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.355 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.41 HG21 HG23 ' A' ' 91' ' ' ILE . 53.1 p -82.22 -31.98 30.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 55.37 42.77 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 97' ' ' VAL . 14.8 p -162.12 112.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.717 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -70.16 163.16 64.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.5 Cg_endo -74.85 150.18 38.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -50.38 -23.09 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -62.92 -26.38 68.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.717 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.3 m0 . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.6 pt-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' LYS . 48.7 mt -86.2 -49.43 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.58 143.0 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.722 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.44 19.1 72.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.18 158.17 39.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 0.803 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 54' ' ' PHE . 33.1 t -73.84 137.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 70' ' ' VAL . 11.1 m -139.97 162.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.1 p -100.19 130.23 46.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 67' ' ' ILE . 39.7 t -103.52 123.65 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.5 t -85.85 126.36 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.26 130.2 37.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -24.14 63.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 m -85.28 -22.74 28.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.04 86.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -39.44 -47.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -49.85 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.453 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.82 129.31 22.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -143.08 144.47 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 107.995 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -130.54 145.6 58.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -74.96 145.1 31.18 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.881 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.18 139.44 13.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.2 tp -91.79 115.31 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -61.2 144.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 33' ' ' VAL . 12.9 pt -160.27 175.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 70.3 p -124.38 139.92 33.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.03 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -59.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.093 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -61.58 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -42.94 136.94 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.47 -61.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -45.3 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.6 90.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -73.69 114.77 12.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HG3' ' A' ' 36' ' ' PRO . 77.5 t -106.15 114.15 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -53.87 167.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.47 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.27 24.16 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.87 163.72 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.69 153.42 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.23 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ILE . 39.2 tp -86.19 128.05 34.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.525 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -127.75 164.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 6.6 ttt180 -122.53 111.91 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -61.99 151.99 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.167 ' CE2' HG22 ' A' ' 16' ' ' VAL . 38.9 m-85 -108.44 13.05 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -99.14 -64.09 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 57' ' ' SER . 10.8 t0 -102.44 -22.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.9 p 82.89 43.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.1 177.84 4.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.33 115.39 27.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.0 m-85 -120.44 152.14 38.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.64 1.212 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.809 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -116.95 105.53 12.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.809 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.05 178.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -96.68 130.83 43.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -21.48 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 1.8 ptpp? -74.18 -31.23 62.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 m-20 -80.09 -14.5 58.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 19' ' ' VAL . 18.5 mt -93.74 150.49 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.694 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -155.68 146.17 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.42 142.81 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 17' ' ' VAL . 6.9 p -142.03 151.98 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 28.9 m-20 -117.08 81.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.589 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.8 mm -68.25 -38.48 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.718 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.6 mt -67.59 -8.93 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 5.4 m-20 -99.71 9.2 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD13 HD13 ' A' ' 86' ' ' LEU . 71.5 mt -90.51 154.07 46.16 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.409 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.3 Cg_endo -74.98 144.65 30.58 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.434 1.755 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -27.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.67 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.948 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -52.78 -39.2 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.8 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -44.43 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' SER . 39.4 p -64.23 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.0 117.7 1.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.17 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.57 -23.21 42.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 83' ' ' LYS . 31.3 mt -92.77 -33.58 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -57.52 -74.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -50.69 51.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -42.81 -57.96 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.589 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.28 -46.64 87.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -48.67 -47.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.75 -14.39 62.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -91.29 -10.52 41.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.718 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.12 -44.36 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -82.32 -28.96 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 56.99 42.12 26.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 97' ' ' VAL . 9.7 p -162.6 110.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.637 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.37 163.1 15.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 151.71 40.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -21.81 3.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.73 -9.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CE3' HG11 ' A' ' 98' ' ' VAL . 13.0 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.0 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 15' ' ' LYS . 60.3 mt -71.49 -54.06 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -43.55 143.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.601 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 58.36 18.01 34.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -135.59 151.03 49.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 54' ' ' PHE . 97.2 t -74.19 142.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.1 m -142.18 162.34 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 8.2 p -98.88 122.63 42.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 67' ' ' ILE . 92.3 t -100.36 120.65 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 66' ' ' ASP . 28.8 t -75.75 119.78 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 1.4 m -54.65 125.3 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.087 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.73 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -90.72 -9.7 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -138.73 104.1 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -65.04 -13.91 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -96.1 -78.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' HG22 ' A' ' 26' ' ' THR . 2.6 mm-40 -38.49 134.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.66 144.26 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.866 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -124.39 146.44 52.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.03 143.87 29.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.866 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -155.92 140.71 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.8 tp -92.56 114.29 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 71.8 t -65.03 145.52 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.6 pt -154.82 -173.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 t -126.11 132.94 24.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.18 -49.68 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.65 -54.44 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -64.14 152.64 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 -58.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.11 -52.69 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 42' ' ' ILE . 36.4 mm -71.17 60.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -57.78 144.97 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 49' ' ' CYS . 74.7 t -112.61 129.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -83.37 -33.73 25.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 24.03 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -131.93 162.29 31.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.434 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -149.79 149.23 30.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 tp -85.06 123.11 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.2 m -121.6 155.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 4.3 ttt180 -112.56 106.96 15.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 153.77 29.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.095 ' CE2' HG22 ' A' ' 16' ' ' VAL . 53.5 m-85 -109.67 13.98 23.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.9 mt -97.89 -64.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -106.26 -11.9 15.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m 69.6 51.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -110.59 160.22 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 49.0 m-85 -95.66 108.25 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -115.57 152.77 32.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -117.12 108.27 15.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -116.02 178.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.11 134.54 42.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -18.78 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 13.8 ptpt -78.7 -15.2 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -96.12 -18.23 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.373 1.045 . . . . 0.0 109.218 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 19' ' ' VAL . 19.5 mt -90.18 148.0 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' CE ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -153.94 144.14 22.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.6 146.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.1 p -145.3 147.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -117.57 81.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.718 HD12 HD22 ' A' ' 86' ' ' LEU . 4.9 mm -70.18 -43.09 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 73' ' ' LEU . 5.0 mt -69.11 -6.89 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -108.62 12.35 25.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 86' ' ' LEU . 28.9 mt -94.28 158.22 36.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.07 34.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -27.06 22.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.67 -45.92 84.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.6 mt-10 -69.02 -47.36 65.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.676 HD22 ' OG ' ' A' ' 90' ' ' SER . 40.8 mt -59.27 -51.87 68.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 t -54.01 -44.2 70.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.792 HG23 ' O ' ' A' ' 78' ' ' SER . 72.7 p -83.51 -85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.97 112.56 0.93 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.94 8.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.412 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -68.88 -41.83 80.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 72' ' ' ILE . 87.1 mt -66.17 -52.73 45.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.17 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.96 -50.12 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.45 -50.45 59.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.676 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.97 -47.54 85.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 95' ' ' THR . 9.9 mt -48.63 -46.49 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 64.7 t80 -68.88 -12.63 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -93.52 -11.42 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.14 -52.57 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 12.8 p -79.46 -9.76 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 95' ' ' THR . 4.8 mmm-85 37.48 52.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 14.2 p -169.61 111.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.667 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -62.31 162.89 16.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.11 152.05 39.78 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.501 1.79 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -45.26 -35.59 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -50.57 -43.33 56.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.667 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.3 m95 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.6 pt-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 17.0 mt -77.96 -50.57 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 142.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.634 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.26 12.11 49.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.713 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tttt -132.89 152.77 51.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.8 t -73.0 147.15 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' ALA . 14.4 m -145.28 166.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 66.8 p -104.61 128.93 52.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.681 HG11 ' HE1' ' A' ' 29' ' ' TYR . 6.8 t -100.91 125.29 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.2 t -90.69 128.07 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.8 136.58 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.93 -18.43 59.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 m -92.93 -23.06 18.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.81 90.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -44.46 -36.09 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -68.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.27 127.92 18.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 70' ' ' VAL . 37.7 p-90 -143.75 145.48 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.806 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -129.93 147.66 66.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.876 ' HD2' HD11 ' A' ' 55' ' ' ILE . 18.3 Cg_endo -74.94 149.54 37.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.03 135.47 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 15' ' ' LYS . 51.0 tp -91.35 118.55 30.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.0 t -58.63 146.12 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.2 pt -154.58 -171.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -128.32 146.71 60.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -54.94 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.74 -60.3 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -47.32 144.98 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 -55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' THR . 37.9 m-20 -43.41 -55.38 4.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 42' ' ' ILE . 4.3 mt -70.33 61.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' ASP . 3.2 m -56.02 142.35 36.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.6 t -103.13 155.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -109.38 -156.45 0.59 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -94.69 -24.47 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.79 20.65 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -139.79 155.2 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 154.25 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' A' ' 59' ' ' PHE . 25.3 tp -86.01 149.25 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.8 m -146.8 163.79 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 3.8 tpp180 -116.25 108.64 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -65.84 153.21 42.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 16' ' ' VAL . 51.0 m-85 -111.8 6.26 19.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.613 1.196 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.876 HD11 ' HD2' ' A' ' 30' ' ' PRO . 5.0 mp -94.17 -64.61 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -99.18 -9.12 24.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.393 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p 64.95 43.6 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -115.05 173.2 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 50' ' ' LEU . 89.1 m-85 -96.32 147.46 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.795 ' HB3' HD11 ' A' ' 62' ' ' ILE . 71.0 m-85 -148.39 148.63 30.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.56 101.83 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.86 178.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -97.79 134.07 41.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -23.54 6.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -23.58 61.89 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -87.34 -22.81 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 19' ' ' VAL . 13.9 mt -86.54 141.29 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.0 141.56 17.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.234 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -37.99 148.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 7.2 p -144.94 148.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.7 m-20 -109.09 85.2 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.3 mm -77.51 -46.68 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.662 HD21 ' HG2' ' A' ' 94' ' ' LYS . 8.1 mt -64.9 -10.17 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 51.3 t30 -100.98 12.09 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 86' ' ' LEU . 59.5 mt -92.17 153.63 43.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -25.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.84 -52.46 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.569 ' OE2' HD22 ' A' ' 75' ' ' LEU . 3.4 mt-10 -60.26 -51.14 70.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -53.46 -55.81 22.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -50.16 -51.73 41.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 78' ' ' SER . 70.9 p -74.31 -84.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.3 124.38 1.74 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.19 -51.61 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 75' ' ' LEU . 74.0 mt -50.5 -49.25 56.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -50.2 -57.56 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.21 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -39.57 -56.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.045 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 95' ' ' THR . 9.6 mt -49.12 -43.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CD1' HG13 ' A' ' 98' ' ' VAL . 73.5 t80 -70.31 -14.27 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.3 mt -91.98 -10.64 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.662 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.51 -50.57 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' VAL . 33.2 p -79.48 -12.17 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 1.9 mmm-85 37.28 51.12 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 97' ' ' VAL . 9.6 p -168.86 106.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.723 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.23 163.08 15.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.39 42.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.16 -35.03 10.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -52.25 -25.46 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.786 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 m0 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -147.15 -59.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 43.27 78.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.66 126.72 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.45 89.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 p -84.82 102.6 13.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.68 63.08 1.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt 47.35 94.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -79.34 137.77 37.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.61 168.72 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 9.2 pt-20 -101.45 -43.6 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.1 mt -89.45 -44.32 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -77.05 148.99 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.716 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 78.89 1.46 84.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.655 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -123.56 164.39 19.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.052 HG22 ' CE2' ' A' ' 54' ' ' PHE . 29.2 t -73.66 139.7 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.0 m -142.2 158.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -99.63 124.63 45.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.6 t -97.54 127.49 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.1 t -89.17 126.03 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 143.8 53.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.52 -24.58 34.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.068 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -87.56 -17.63 31.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -157.63 90.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -46.24 -25.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -68.56 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.45 129.79 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CH2' HD21 ' A' ' 86' ' ' LEU . 35.8 p-90 -143.48 145.79 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -132.8 147.18 64.45 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.97 148.76 35.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.799 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -161.25 135.71 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD11 ' C ' ' A' ' 14' ' ' GLY . 27.1 tp -91.32 101.45 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 34' ' ' ILE . 42.0 t -49.14 150.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.0 pt -163.63 177.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 t -116.83 146.68 38.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 84.72 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.27 -60.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 t -72.63 -63.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -53.16 132.39 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.62 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -51.12 -41.78 60.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.7 mm -47.38 95.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.8 m -84.13 116.52 22.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -103.71 116.67 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 168.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -31.87 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.11 24.52 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -126.92 162.25 26.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.246 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 151.2 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.0 tp -85.85 139.03 31.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.543 HG12 HG22 ' A' ' 33' ' ' VAL . 14.2 m -135.6 164.53 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.379 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 8.3 ttt180 -118.67 109.66 16.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.8 t -62.58 154.33 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.052 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.9 m-85 -111.72 12.15 21.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 98.3 mt -101.41 -64.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.16 -7.93 17.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t 64.38 49.34 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -107.47 160.04 15.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -94.43 110.4 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.678 ' HB3' HD11 ' A' ' 62' ' ' ILE . 87.8 m-85 -113.11 155.14 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.793 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.95 100.65 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.062 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.793 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.94 178.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.27 135.7 41.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.5 mmm180 -56.5 -17.66 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -14.01 58.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.747 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -96.0 -16.54 21.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 64' ' ' ARG . 31.1 mt -88.59 157.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -168.77 135.1 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -38.27 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 72' ' ' ILE . 5.6 p -146.52 163.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.9 OUTLIER -119.56 82.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.559 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.7 mm -79.62 -40.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -75.12 -2.32 27.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.73 -7.42 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 72' ' ' ILE . 19.1 mt -68.13 157.03 88.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.22 40.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.4 OUTLIER -58.46 -20.32 44.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -69.69 -44.2 70.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' LYS . 67.1 mm-40 -70.27 -46.22 64.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' OG ' ' A' ' 90' ' ' SER . 26.3 mt -65.02 -55.64 17.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 42.9 t -46.63 -24.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.05 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -105.91 -87.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.697 ' CB ' HD12 ' A' ' 86' ' ' LEU . 2.2 mptp? -39.85 120.28 1.44 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.568 1.825 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.27 -31.11 1.35 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 ' CB ' ' A' ' 83' ' ' LYS . 86.2 mt -79.54 -61.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -38.73 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.86 -54.74 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.51 -51.73 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.651 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -58.81 -48.01 82.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -49.14 -45.04 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CD1' HG13 ' A' ' 98' ' ' VAL . 47.6 t80 -69.28 -13.93 62.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.65 -10.08 38.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.69 -47.27 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 97' ' ' VAL . 43.6 p -82.17 -14.34 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 40.4 48.54 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.592 HG23 HG12 ' A' ' 106' ' ' ILE . 10.9 p -162.14 106.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.23 163.33 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 157.33 42.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.25 -17.96 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.2 -16.33 63.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.7 m0 -101.06 -54.89 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 107.957 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.61 55.17 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.493 ' HB2' HG21 ' A' ' 98' ' ' VAL . 60.4 tpp -61.75 -69.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 176.68 39.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.592 HG12 HG23 ' A' ' 97' ' ' VAL . 0.7 OUTLIER -147.85 -47.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.9 p -45.49 -30.25 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.77 -33.46 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 106' ' ' ILE . 87.5 mt -61.24 -20.32 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -71.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.39 178.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.243 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -79.63 74.28 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.42 -157.68 25.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.38 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.0 t -175.61 77.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.55 146.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.626 1.204 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m 63.84 113.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.39 153.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.99 150.87 0.63 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -166.25 115.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 0.749 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m 61.75 156.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.85 -122.31 0.78 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.9 mt -122.37 82.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 0.743 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.37 -69.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.513 ' OD2' HD23 ' A' ' 13' ' ' LEU . 1.2 t70 -176.36 168.77 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.79 -60.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 69' ' ' GLU . 11.2 mt -76.36 -48.57 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -72.15 149.09 45.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.685 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 80.92 0.04 87.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -124.48 164.32 19.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.914 HG22 ' CE2' ' A' ' 54' ' ' PHE . 53.9 t -73.77 135.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' ALA . 6.9 m -134.45 164.6 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.544 ' HB3' HG21 ' A' ' 70' ' ' VAL . 4.6 p -104.34 120.05 40.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 58.7 t -90.9 135.95 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 66' ' ' ASP . 20.3 t -100.18 127.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 3.6 t -76.46 128.96 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -72.08 -8.69 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 2.2 mt-10 -138.25 58.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' SER . 7.0 mtt-85 -41.05 -28.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -73.46 -73.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.177 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.22 133.12 12.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 43.7 p-90 -142.66 141.25 31.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.772 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.5 p90 -124.56 149.42 61.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.677 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.92 151.05 39.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.74 135.95 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.685 HD11 ' C ' ' A' ' 14' ' ' GLY . 49.4 tp -91.1 114.41 26.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG23 HG21 ' A' ' 17' ' ' VAL . 81.5 t -65.23 151.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.594 HD13 ' HE ' ' A' ' 52' ' ' ARG . 3.2 pt -151.92 -172.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 t -126.84 128.77 24.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 76.81 3.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -102.51 -52.9 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -59.4 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -67.5 138.34 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.44 -61.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 6.9 m-20 -45.25 -44.2 11.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.7 mm -48.29 94.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.1 m -90.31 117.29 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -110.18 128.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.87 178.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.19 -2.91 58.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.5 24.81 7.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt-30 -134.97 162.55 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 tp -87.73 128.38 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -129.33 159.26 41.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.409 1.068 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -115.51 111.76 21.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.1 t -66.66 152.43 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.914 ' CE2' HG22 ' A' ' 16' ' ' VAL . 41.9 m-85 -110.5 12.32 22.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 77.2 mt -102.26 -64.48 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -99.17 -9.42 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.6 p 64.38 44.39 4.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -112.04 164.59 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -97.87 118.53 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.8 m-85 -119.88 152.53 37.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 6.8 t -116.89 106.68 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.49 178.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.09 136.24 38.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.04 -22.86 4.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -70.95 -27.11 63.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -83.77 -24.33 31.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.3 mt -84.6 140.04 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.67 144.55 19.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 12' ' ' LEU . 8.3 mt-10 -37.92 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 18' ' ' SER . 3.3 p -145.57 156.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -120.66 78.43 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.496 HD12 HD22 ' A' ' 86' ' ' LEU . 4.3 mm -73.18 -43.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 73' ' ' LEU . 2.7 mt -71.99 -5.22 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -106.75 6.67 29.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 86' ' ' LEU . 20.1 mt -87.06 156.54 54.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 137.61 21.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.0 -29.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -57.29 -47.51 81.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LYS . 66.1 mm-40 -65.99 -48.72 70.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.795 HD22 ' OG ' ' A' ' 90' ' ' SER . 41.5 mt -57.87 -55.03 40.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -47.71 -35.72 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.042 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 78' ' ' SER . 71.5 p -93.07 -86.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.674 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.59 117.72 1.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.48 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.448 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -51.63 -42.87 52.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 30' ' ' PRO . 27.1 mt -70.54 -54.26 12.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -37.66 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -55.73 7.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.665 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -43.71 -53.04 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.795 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.5 -49.62 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.05 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -49.04 -48.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 2.7 t80 -65.76 -14.12 60.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -92.06 -9.93 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -114.53 -48.52 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 26.4 p -81.47 -10.8 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.445 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 37.93 34.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 5.5 p -137.86 101.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -62.23 163.44 14.04 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 151.99 40.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -30.4 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.87 -27.91 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.725 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.6 m0 -98.53 -60.66 1.5 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 108.041 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 78.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.4 mtt -92.36 75.07 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.04 -55.61 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 106' ' ' ILE . 1.5 tt -84.62 -20.26 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -63.76 -15.54 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -107.35 -24.75 11.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 52.8 mt -70.77 -16.76 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mt -45.24 -63.87 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -179.95 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 171.49 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.78 165.06 11.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 114.65 4.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.1 p -162.54 -63.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.943 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.11 149.35 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.394 1.059 . . . . 0.0 111.003 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.89 86.95 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -172.97 99.27 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.428 1.08 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.09 85.11 1.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -146.38 149.03 32.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 0.736 . . . . 0.0 110.085 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -169.32 -62.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.7 -74.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 mt 72.05 -73.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -123.43 111.4 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 1.1 m-20 62.32 128.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -87.86 -40.08 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.5 mt -86.71 -35.52 19.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -77.76 150.34 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 67.0 13.29 61.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.48 160.07 32.62 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 0.761 . . . . 0.0 109.353 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 54' ' ' PHE . 8.1 t -79.24 142.3 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.6 m -142.37 157.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 26.7 p -99.56 128.5 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.583 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.8 t -99.57 132.48 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.2 t -94.79 129.66 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.6 121.07 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.57 -19.47 64.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 m -96.86 -12.72 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -160.39 82.99 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.0 mmt85 -42.27 -35.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -58.0 -72.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -49.73 128.38 17.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 38.6 p-90 -143.78 145.53 32.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.716 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.16 148.09 68.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.01 151.7 39.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.77 137.02 6.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 15' ' ' LYS . 40.3 tp -91.18 110.99 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -53.59 147.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 33' ' ' VAL . 24.5 pt -154.62 -177.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -124.12 142.16 39.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -52.28 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -52.34 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -45.99 133.17 8.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.065 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -129.73 -56.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -45.27 -56.04 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 42' ' ' ILE . 44.6 mm -70.3 61.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -55.48 113.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 48' ' ' GLN . 78.8 t -77.84 137.4 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -80.28 -153.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -97.83 -34.03 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.55 23.0 9.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mt-30 -134.77 147.74 50.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 151.88 45.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.238 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.76 125.93 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.5 m -118.84 172.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 2.9 ttt180 -126.51 106.24 9.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 t -62.12 153.8 28.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.105 ' CE2' HG22 ' A' ' 16' ' ' VAL . 50.9 m-85 -110.08 14.62 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.598 1.186 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 79.0 mt -100.66 -63.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -105.38 -12.53 15.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 69.33 47.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.03 163.86 12.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -99.17 114.93 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 62' ' ' ILE . 64.0 m-85 -120.54 151.89 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.817 ' C ' HD13 ' A' ' 62' ' ' ILE . 3.9 t -117.9 103.19 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 109.98 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.817 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.81 178.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.49 134.81 40.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.44 ' HA ' HD12 ' A' ' 67' ' ' ILE . 2.6 mmm180 -49.87 -22.36 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -70.29 -42.67 71.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -69.15 -20.68 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 19' ' ' VAL . 39.0 mt -89.15 150.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.9 138.13 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.0 tm-20 -37.84 149.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.77 150.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -107.2 84.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.7 mm -79.09 -40.9 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 73' ' ' LEU . 3.7 mt -72.43 -5.52 37.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -107.45 12.19 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.718 HD13 HD13 ' A' ' 86' ' ' LEU . 29.6 mt -87.89 156.08 52.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.09 29.72 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 -22.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -59.39 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' LYS . 9.3 mt-10 -53.65 -46.97 70.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' OG ' ' A' ' 90' ' ' SER . 22.7 mt -64.53 -50.03 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 t -53.04 -20.31 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 p -113.53 -88.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.15 117.43 1.09 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.01 -38.64 31.97 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 30' ' ' PRO . 81.4 mt -73.3 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -36.58 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -63.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.19 -49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.622 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -60.98 -47.28 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 HG21 ' A' ' 95' ' ' THR . 11.8 mt -49.92 -42.55 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.388 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -70.83 -13.06 61.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.609 1.193 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.7 mt -92.9 -10.83 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.64 -50.25 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.46 HG21 HG23 ' A' ' 91' ' ' ILE . 31.0 p -79.67 -15.93 56.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 41.07 48.55 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 97' ' ' VAL . 12.9 p -163.53 109.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.467 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.31 163.04 15.55 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.97 155.85 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.69 -26.58 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.98 -36.69 72.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 52' ' ' ARG . 11.3 m0 -75.99 -60.87 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.88 60.22 0.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.7 mtt -86.4 161.56 18.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -177.63 37.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.518 HD12 HD12 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -96.06 -29.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.7 p -53.68 -26.69 23.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.68 -24.71 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.518 HD12 HD12 ' A' ' 106' ' ' ILE . 95.8 mt -65.08 -21.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 7.1 mt -123.43 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 110' ' ' LEU . 7.0 pt-20 47.52 -170.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.38 174.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.53 -145.13 9.13 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.2 33.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.435 1.755 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.2 -60.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m 51.61 80.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.72 -57.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 0.0 109.915 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.41 114.75 22.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 82.77 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -136.6 92.01 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -156.84 124.74 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.77 126.46 2.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.45 113.37 9.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -147.3 98.18 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.815 ' CG ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER 62.56 130.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HG3' HD23 ' A' ' 12' ' ' LEU . 8.5 pt-20 -103.21 -38.43 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.532 HD21 ' OE2' ' A' ' 69' ' ' GLU . 38.0 mt -77.18 -34.96 56.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.815 HD23 ' CG ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -78.98 147.75 32.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.765 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 78.58 3.5 86.75 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.74 166.62 16.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.108 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.1 t -73.25 134.92 28.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.9 m -139.92 158.32 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.065 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.526 ' OG ' ' CE3' ' A' ' 28' ' ' TRP . 43.8 t -99.09 134.79 41.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.686 ' CG1' HG21 ' A' ' 62' ' ' ILE . 44.7 t -109.05 124.84 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.8 t -82.33 124.22 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 137.59 53.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.49 -31.1 62.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -78.52 -25.66 45.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -150.63 94.34 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' O ' HG13 ' A' ' 20' ' ' VAL . 15.7 mmt180 -44.73 -40.28 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -57.34 -68.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -46.2 131.1 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.565 1.165 . . . . 0.0 110.358 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CE3' ' OG ' ' A' ' 18' ' ' SER . 42.2 p-90 -143.89 144.66 31.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.853 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -130.28 145.59 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.802 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.99 147.56 34.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.853 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -160.12 138.77 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD11 ' C ' ' A' ' 14' ' ' GLY . 36.1 tp -94.91 104.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 34' ' ' ILE . 51.0 t -53.49 148.3 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.8 pt -160.14 -176.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 t -123.77 129.53 24.78 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HB3' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -52.87 62.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 -61.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 108.348 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -48.68 147.66 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -140.85 -54.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -50.46 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.2 mp -70.19 61.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -52.34 143.79 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 49' ' ' CYS . 53.1 t -114.62 132.26 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 166.99 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -22.15 64.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.71 24.39 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.41 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -132.6 161.75 33.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -152.12 147.64 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.265 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 59' ' ' PHE . 12.7 tp -85.1 123.68 30.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.624 HG12 HG22 ' A' ' 33' ' ' VAL . 16.3 m -117.67 160.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.219 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.513 ' HD3' ' CE3' ' A' ' 102' ' ' TRP . 11.1 ttt180 -112.48 110.11 20.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -62.53 154.33 29.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.108 ' CE2' HG22 ' A' ' 16' ' ' VAL . 35.6 m-85 -111.9 9.28 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.439 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.0 mt -96.65 -64.78 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -104.56 -10.51 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.421 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 9.6 p 67.98 50.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.6 -179.27 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.448 ' HB3' HD11 ' A' ' 50' ' ' LEU . 94.4 m-85 -113.38 117.07 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 62' ' ' ILE . 92.0 m-85 -119.08 156.22 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.799 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -118.72 99.47 6.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.799 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.29 178.74 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.478 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -101.08 134.57 43.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.0 mtm180 -54.11 -20.56 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 pttt -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -79.28 -18.69 52.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 64' ' ' ARG . 24.9 mt -85.94 145.62 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.74 136.16 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE2' HD21 ' A' ' 12' ' ' LEU . 13.6 mt-10 -38.75 146.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HG12 ' A' ' 72' ' ' ILE . 6.0 p -146.56 147.98 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.1 m-20 -105.95 81.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.815 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.0 mm -76.22 -37.8 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD21 ' HE3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -73.75 -2.52 23.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 24.0 t30 -103.13 -10.13 19.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 86' ' ' LEU . 46.7 mt -65.46 153.39 90.27 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.01 33.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -22.7 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.48 -48.25 67.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 57.8 mm-40 -66.22 -43.94 85.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.543 HD22 ' OG ' ' A' ' 90' ' ' SER . 45.8 mt -64.42 -59.66 4.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -44.31 -26.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 78' ' ' SER . 47.4 p -103.05 -88.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.616 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.9 117.04 1.23 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -54.71 -42.45 77.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.802 HD23 ' HG3' ' A' ' 30' ' ' PRO . 20.3 mt -71.28 -51.32 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.87 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.77 -45.79 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HG21 ' A' ' 72' ' ' ILE . . . -57.01 -48.58 78.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.815 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -64.42 -46.59 82.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.45 HG23 HG21 ' A' ' 95' ' ' THR . 11.9 mt -47.55 -49.53 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 27.1 t80 -66.71 -13.14 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.1 mt -93.04 -9.97 37.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.688 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -115.87 -50.61 2.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.45 HG21 HG23 ' A' ' 91' ' ' ILE . 18.5 p -78.89 -28.3 44.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 10.4 mmm180 56.49 40.68 29.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.229 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.28 101.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.644 HG21 ' HG3' ' A' ' 104' ' ' MET . 0.2 OUTLIER -62.24 163.13 15.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.0 Cg_endo -75.07 150.65 38.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.01 -24.79 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.598 1.187 . . . . 0.0 109.35 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.84 -16.29 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.513 ' CE3' ' HD3' ' A' ' 52' ' ' ARG . 8.9 m0 -102.48 -59.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.51 58.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.644 ' HG3' HG21 ' A' ' 98' ' ' VAL . 1.9 mmt -50.47 -179.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.68 -46.22 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 109' ' ' ILE . 1.9 tt -88.49 -36.92 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.53 -26.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.32 -29.84 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.249 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' ILE . 50.3 mt -66.37 -16.52 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mt -79.75 -61.23 2.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 134.72 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.9 111.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.04 157.28 27.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.22 33.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.547 1.814 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.99 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -56.24 164.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -152.35 97.01 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.967 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -61.5 154.99 23.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 -62.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -41.64 157.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 0.743 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m 66.46 104.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.64 153.8 9.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -106.29 161.84 14.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.227 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -117.29 155.05 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.367 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -129.9 158.09 40.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.13 -38.54 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -89.8 -36.43 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -81.37 149.03 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.718 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.45 1.54 76.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.57 170.0 10.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 54' ' ' PHE . 88.9 t -74.02 146.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.456 HG21 HG21 ' A' ' 67' ' ' ILE . 8.2 m -150.24 163.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.02 116.38 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 29' ' ' TYR . 55.0 t -90.87 119.57 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.6 t -83.61 125.98 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -68.57 125.1 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.37 64.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.3 m -77.02 -7.84 56.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -142.2 80.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -52.33 -20.33 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 m -82.43 -80.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.29 133.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.286 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CH2' HD21 ' A' ' 86' ' ' LEU . 45.5 p-90 -143.8 141.28 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.2 p90 -126.11 148.66 64.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.03 149.27 36.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.54 138.93 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD11 ' O ' ' A' ' 14' ' ' GLY . 17.0 tp -91.29 111.13 22.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 34' ' ' ILE . 83.3 t -64.0 141.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.4 pt -159.13 -175.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -124.09 147.64 55.0 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.573 1.828 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -60.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 110.056 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.38 -63.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -48.73 118.92 2.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -103.03 -58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.87 -49.26 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.1 mm -40.37 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -84.28 114.83 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.73 128.67 66.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -64.24 -170.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -87.52 -39.13 15.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.73 24.91 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -125.32 153.53 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.83 149.62 46.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' ILE . 31.0 tp -85.6 113.77 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG12 HG22 ' A' ' 33' ' ' VAL . 5.2 m -111.77 156.22 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 4.2 ttt180 -115.33 110.06 18.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -62.14 153.22 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 16' ' ' VAL . 43.3 m-85 -109.79 11.74 24.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 90.0 mt -96.82 -64.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -101.54 -7.95 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 p 64.6 50.0 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -115.42 174.32 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 93.2 m-85 -106.01 127.09 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.9 m-85 -125.17 157.65 35.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -118.35 98.62 6.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.66 178.65 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.85 141.1 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.83 28.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.43 -19.46 58.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -93.49 -16.94 23.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG21 HG21 ' A' ' 17' ' ' VAL . 18.9 mt -88.66 135.17 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.203 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -150.51 139.14 20.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -38.54 153.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 71' ' ' ASP . 1.4 p -146.49 171.26 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 72' ' ' ILE . 4.5 mm -66.54 -43.97 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 93' ' ' LEU . 7.6 mt -73.91 -3.81 31.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -112.66 12.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 75' ' ' LEU . 15.7 mt -89.07 157.98 47.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.71 22.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -27.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.75 -57.58 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.3 mt-10 -57.72 -50.85 71.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -50.51 -58.0 6.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -49.38 -58.23 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 66.2 p -67.9 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.827 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.15 116.38 2.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -58.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.79 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -41.66 -39.9 2.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 83' ' ' LYS . 90.2 mt -63.44 -69.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -36.18 -59.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -66.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.624 ' HB2' ' CD2' ' A' ' 54' ' ' PHE . . . -45.75 -42.46 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.53 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.8 OUTLIER -62.04 -47.32 85.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.929 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' THR . 11.8 mt -49.77 -41.2 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.87 -14.36 61.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 7.2 mt -90.99 -10.27 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.97 -42.69 3.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.3 p -85.95 -40.61 15.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 65.26 38.39 5.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.232 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.95 101.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.571 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.12 163.04 14.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.05 152.46 40.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -22.78 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.04 -15.45 63.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.2 m0 -97.72 -56.38 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 103' ' ' LYS . 13.0 tttt 57.42 58.65 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.569 ' CG ' HG21 ' A' ' 98' ' ' VAL . 9.7 mmt -52.39 -178.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.23 -50.34 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 tt -94.3 -39.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 104' ' ' MET . 8.4 t -55.86 -19.36 11.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -90.35 -17.21 27.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.9 mt -86.29 -28.49 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.43 -55.32 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.75 177.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.7 p -140.0 153.4 46.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.94 156.69 23.39 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 159.97 40.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.591 1.837 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 m 56.2 107.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.0 p 178.79 118.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.012 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -99.13 111.48 23.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.33 91.58 3.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.941 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.19 108.69 3.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -172.07 102.31 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.03 116.05 3.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -170.49 12.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -137.03 64.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 10' ' ' ASP . 3.7 m-80 -128.46 94.05 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 2.6 m-20 61.16 123.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.359 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 -83.71 -42.31 16.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 38.7 mt -88.29 -36.66 16.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -75.95 148.44 38.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.616 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.24 14.5 66.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -130.52 163.51 26.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 0.715 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.115 HG22 ' CE2' ' A' ' 54' ' ' PHE . 24.9 t -75.66 144.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 31' ' ' ALA . 19.5 m -144.34 157.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 p -99.84 126.3 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 1.163 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.595 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 51.7 t -98.99 125.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.5 t -89.07 126.29 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 138.64 47.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -32.08 52.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.8 p -80.54 -21.52 41.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -154.47 86.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -40.37 -48.74 2.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -47.45 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -48.87 125.8 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CH2' HD21 ' A' ' 86' ' ' LEU . 39.8 p-90 -143.85 145.18 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -132.75 146.78 62.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.93 152.29 40.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.727 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -162.91 143.64 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 15' ' ' LYS . 21.8 tp -96.18 114.69 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.0 t -64.5 144.39 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 9.0 pt -155.72 -173.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -126.39 137.55 30.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 100.28 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 p -107.17 -57.79 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 m -70.53 -62.97 1.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.271 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -46.2 167.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.47 -56.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 109.333 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.8 m-20 -50.55 -45.87 57.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.32 90.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.2 m -70.52 116.32 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.482 HG21 ' HG3' ' A' ' 36' ' ' PRO . 69.1 t -104.06 111.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.367 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.41 167.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -66.77 -35.89 81.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -96.95 19.71 12.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -117.77 163.92 15.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.74 148.18 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.9 tp -85.0 119.68 25.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.58 158.19 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 2.5 ttt180 -118.07 108.46 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 t -62.62 154.04 30.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.115 ' CE2' HG22 ' A' ' 16' ' ' VAL . 47.1 m-85 -109.84 14.74 23.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 93.3 mt -98.89 -64.44 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -105.45 -9.3 17.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t 65.99 54.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 174.2 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 51.7 m-85 -107.62 108.48 19.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 62' ' ' ILE . 94.2 m-85 -110.62 152.06 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.791 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.82 99.48 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.791 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.78 178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.78 141.7 34.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -15.48 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.12 -11.97 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -105.98 -22.84 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.9 mt -85.06 137.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -154.93 136.95 14.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 mt-10 -37.43 149.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.438 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.8 p -145.09 157.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -111.67 85.01 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.725 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -81.29 -38.91 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.7 mt -74.42 -1.53 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.6 HD22 ' N ' ' A' ' 74' ' ' ASN . 1.3 m-80 -108.03 6.15 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD13 HD13 ' A' ' 86' ' ' LEU . 43.2 mt -85.0 155.13 61.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.4 31.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.62 -25.35 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -62.66 -55.18 29.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.986 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 29.5 mm-40 -59.86 -39.62 85.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 47.6 mt -66.28 -55.28 16.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -54.82 -31.21 58.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.95 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 78' ' ' SER . 76.4 p -94.16 -87.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.694 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -45.43 117.57 3.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.25 -45.06 15.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD12 ' CB ' ' A' ' 83' ' ' LYS . 33.8 mt -65.4 -59.1 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -40.23 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -50.42 3.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.67 -48.9 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.725 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -63.16 -44.71 94.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' THR . 7.4 mt -47.05 -51.86 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CD1' HG13 ' A' ' 98' ' ' VAL . 85.5 t80 -64.94 -14.07 58.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -91.13 -11.48 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.55 -47.68 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ILE . 12.3 p -81.67 -10.4 59.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 40.54 43.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 95' ' ' THR . 8.7 p -168.87 121.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.687 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -67.18 163.18 48.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.04 151.92 39.95 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -25.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -61.06 -32.68 72.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.687 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.0 m95 -76.18 -56.15 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 108.042 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.91 73.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.462 ' CG ' ' HB2' ' A' ' 107' ' ' SER . 5.2 mmt -48.68 178.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.42 -47.03 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 tt -94.77 -34.76 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 104' ' ' MET . 0.7 OUTLIER -48.87 -23.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -33.9 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.83 -22.01 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.5 -58.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.53 136.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.951 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.86 -146.03 7.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.72 4.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.435 1.755 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' GLY . 9.0 m -157.06 123.95 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.96 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p 44.28 80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -79.23 156.3 28.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.95 -89.14 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 56.0 86.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 179.31 -59.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.83 -104.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt 63.42 93.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -120.8 113.38 20.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.585 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER 65.2 161.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -99.78 -36.72 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.5 mt -90.05 -35.33 15.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.383 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -80.54 147.84 30.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.802 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 81.87 -1.33 86.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -119.74 169.29 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.033 HG22 ' CE2' ' A' ' 54' ' ' PHE . 32.1 t -73.44 136.82 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.5 m -137.78 157.37 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.55 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 47.3 p -100.71 128.02 46.91 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.465 1.103 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' TYR . 59.5 t -98.57 134.85 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -97.95 130.51 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.7 OUTLIER -73.55 122.3 22.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.85 77.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 m -82.33 -11.59 58.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -139.26 69.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -43.81 -26.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.5 m -73.94 -78.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.53 132.1 2.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CH2' HG21 ' A' ' 70' ' ' VAL . 35.8 p-90 -144.38 145.16 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 108.059 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.3 p90 -132.34 148.61 70.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.785 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 150.86 38.74 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.2 139.96 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 15' ' ' LYS . 43.0 tp -91.06 115.32 27.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.229 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.649 ' HA ' HG12 ' A' ' 51' ' ' VAL . 73.0 t -62.54 147.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.5 pt -158.35 -174.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 146.84 61.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.972 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.433 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.4 Cg_endo -75.05 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 m -107.26 -55.93 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.43 -62.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.664 HD21 HD22 ' A' ' 50' ' ' LEU . 24.9 p-10 -50.42 130.54 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.46 -47.12 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.381 1.051 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' THR . 20.2 m-20 -45.7 -53.0 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.3 mp -69.67 63.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ASP . 14.8 m -52.35 126.22 18.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.65 131.16 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 177.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -38.29 28.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -94.51 25.25 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -137.82 162.09 34.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.55 157.72 44.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 39' ' ' ASN . 20.7 tp -88.55 141.91 28.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 33' ' ' VAL . 35.7 m -135.61 166.37 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -124.62 105.95 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.1 t -62.3 153.74 29.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.033 ' CE2' HG22 ' A' ' 16' ' ' VAL . 62.2 m-85 -109.03 15.68 23.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.451 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 80.2 mt -98.71 -64.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -106.31 -10.94 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 m 69.02 50.94 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.039 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -110.29 171.47 7.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -106.29 115.2 29.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.756 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.3 m-85 -115.53 153.75 30.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.36 99.02 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.077 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -112.74 178.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.2 134.79 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -50.61 -21.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -71.41 -34.6 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.22 -21.0 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.5 mt -86.32 137.38 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.35 135.93 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' LYS . 19.8 mt-10 -36.68 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.4 p -143.99 144.1 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.9 m-20 -102.68 90.39 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.445 HG22 ' CB ' ' A' ' 90' ' ' SER . 5.7 mm -81.54 -43.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HA ' HD23 ' A' ' 73' ' ' LEU . 1.6 mt -69.64 -6.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 46.4 t30 -103.53 5.43 36.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HD13 ' A' ' 86' ' ' LEU . 48.9 mt -82.57 153.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 144.16 30.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -46.38 -27.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -61.48 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -49.14 -42.12 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.542 HD22 ' OG ' ' A' ' 90' ' ' SER . 38.5 mt -65.85 -62.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.0 m -45.12 -26.98 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.6 1.187 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -100.2 -89.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -43.88 120.16 3.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.36 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.8 -42.66 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 30' ' ' PRO . 69.6 mt -66.24 -67.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 0.789 . . . . 0.0 109.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -43.89 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.17 -38.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -75.12 -47.71 27.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.542 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -57.26 -48.33 79.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 95' ' ' THR . 11.2 mt -47.71 -50.73 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.494 ' HE2' HD13 ' A' ' 32' ' ' LEU . 3.2 t80 -65.71 -13.55 59.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' SER . 5.6 mt -92.06 -10.14 40.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.76 -44.19 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.418 ' CB ' HG12 ' A' ' 97' ' ' VAL . 28.0 p -85.98 -9.23 57.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.455 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 37.85 34.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 97' ' ' VAL . 12.3 p -139.13 98.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.764 HG21 ' HG3' ' A' ' 104' ' ' MET . 0.2 OUTLIER -62.14 163.21 14.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -74.98 156.01 43.03 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -17.92 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.44 -14.84 61.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.798 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 12.9 m0 -105.31 -61.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? 57.74 77.39 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.764 ' HG3' HG21 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -97.01 -168.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.968 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 104' ' ' MET . 3.0 t70 81.14 2.94 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -95.76 -29.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -55.22 -18.87 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.12 -31.16 25.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.247 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.91 -27.56 42.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.58 -74.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 77.99 153.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t -131.59 -59.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.27 119.5 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.33 5.38 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m 56.48 105.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.79 130.04 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -64.38 149.43 48.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t 66.21 137.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.004 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.25 -173.57 33.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.68 161.34 18.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -47.4 167.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.602 1.188 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 -154.68 10.87 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -136.26 -67.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.756 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 71.55 89.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.58 161.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.89 -36.31 8.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.8 mt -89.29 -40.77 12.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -79.41 148.74 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.766 ' N ' HD12 ' A' ' 13' ' ' LEU . . . 77.88 1.83 79.91 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.621 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.36 166.5 13.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 54' ' ' PHE . 96.7 t -73.53 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.7 m -136.9 164.92 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.547 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 1.7 p -101.73 123.99 46.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG13 ' OD1' ' A' ' 66' ' ' ASP . 28.0 t -99.25 127.54 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 66' ' ' ASP . 10.7 t -83.96 126.07 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 145.19 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.77 -23.22 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.0 m -90.94 -11.97 37.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.59 86.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.2 mmt180 -39.33 -53.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -45.48 -67.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -47.71 130.05 14.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 70' ' ' VAL . 42.6 p-90 -142.35 141.48 32.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -124.07 147.4 54.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 149.66 37.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -163.12 139.81 7.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 14' ' ' GLY . 15.9 tp -91.4 116.2 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 34' ' ' ILE . 73.5 t -67.62 142.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 33' ' ' VAL . 18.2 pt -157.81 -176.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -123.35 147.75 53.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 84.76 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.436 1.756 . . . . 0.0 111.044 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -54.19 2.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -62.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.16 174.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -148.91 -54.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -54.26 -38.38 65.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.532 HG21 HD13 ' A' ' 50' ' ' LEU . 11.1 mm -51.13 93.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.5 m -77.33 111.06 12.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.387 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -108.32 135.33 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.83 171.58 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -78.16 -23.65 47.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.37 23.7 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -142.81 162.4 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 153.55 46.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 42' ' ' ILE . 18.4 tp -85.1 129.76 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.2 m -125.58 154.61 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tpt180 -113.84 111.36 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.7 p -62.74 153.99 31.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.12 ' CE2' HG22 ' A' ' 16' ' ' VAL . 37.3 m-85 -110.24 13.91 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 90.1 mt -100.54 -64.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -105.88 -12.25 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 0.7 OUTLIER 69.6 50.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -107.71 146.8 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CZ ' ' NH1' ' A' ' 52' ' ' ARG . 29.9 m-85 -84.04 103.08 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.692 ' HB3' HD11 ' A' ' 62' ' ' ILE . 27.5 m-85 -109.18 148.02 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.787 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.87 99.8 7.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.787 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.65 178.73 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -94.25 133.43 37.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -54.29 -19.15 4.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 8.1 ptpt -70.23 -30.84 68.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.899 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.3 p30 -82.49 -13.88 55.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 19' ' ' VAL . 11.3 mt -87.51 147.42 5.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.897 ' HE2' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -159.34 146.73 17.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.18 146.62 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.6 p -146.47 143.79 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.212 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -112.16 87.59 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.602 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.1 mm -77.96 -41.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -70.54 -5.53 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 2.0 t30 -109.68 12.63 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 86' ' ' LEU . 19.6 mt -87.52 158.05 51.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.2 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 149.47 36.74 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.543 1.812 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -17.54 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -69.7 -54.43 13.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 109.995 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 83' ' ' LYS . 2.7 mt-10 -59.57 -59.57 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 mt -44.56 -57.48 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 t -47.3 -50.76 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 110.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 78' ' ' SER . 80.4 p -78.97 -85.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.427 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.534 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -40.52 114.82 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.61 57.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.895 HD13 HD13 ' A' ' 75' ' ' LEU . 97.3 mt -59.78 -64.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -38.71 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -39.69 -49.83 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.873 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -55.64 -48.97 74.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.602 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -59.41 -46.5 88.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -47.24 -52.42 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 82.8 t80 -64.13 -14.31 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.6 mt -90.91 -9.88 44.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.03 -46.13 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 p -82.94 -36.84 24.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm-85 61.51 46.93 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 97' ' ' VAL . 11.9 p -160.34 102.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.656 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -61.94 163.21 13.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -75.06 150.64 38.19 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -22.03 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.68 -21.89 66.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.656 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.0 m0 -89.62 -60.36 1.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.22 69.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -163.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.55 -36.08 8.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -38.03 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 p -48.99 -24.31 1.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -91.3 -31.62 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.15 -18.43 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -61.97 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.64 88.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.4 p -116.36 76.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.938 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.67 162.96 35.47 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.68 158.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 1.049 . . . . 0.0 110.025 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.7 p 56.1 165.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -130.08 158.6 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -172.52 150.47 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.77 -115.06 0.47 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 m -75.88 174.14 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 0.743 . . . . 0.0 110.038 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -131.99 -73.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 -172.87 19.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -137.03 140.04 41.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 0.822 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.63 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER 176.22 153.53 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.7 pt-20 -82.51 -46.91 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 34.9 mt -83.88 -38.35 21.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -75.16 146.53 41.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 70.64 14.77 72.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.415 1.072 . . . . 0.0 111.054 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -130.47 158.71 39.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.006 HG22 ' CE2' ' A' ' 54' ' ' PHE . 30.0 t -78.91 144.54 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 67' ' ' ILE . 28.3 m -140.26 168.14 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.474 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p -98.43 114.64 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 29' ' ' TYR . 80.4 t -92.2 112.57 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.7 t -77.96 119.6 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.207 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.14 125.85 27.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.84 69.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 m -81.01 -15.4 56.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -161.06 89.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.0 mtm180 -40.29 -57.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -42.89 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -46.72 128.46 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.73 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.5 p-90 -143.6 145.17 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.053 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -132.02 146.0 59.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.57 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 144.89 30.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -156.31 141.76 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 15' ' ' LYS . 14.1 tp -91.15 121.26 32.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG12 ' CD2' ' A' ' 13' ' ' LEU . 49.8 t -72.04 142.84 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.3 pt -154.49 -173.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 p -126.83 145.47 53.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 95.64 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -105.36 -60.56 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.936 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.1 t -78.33 -57.05 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 40' ' ' ASP . 6.9 t30 -55.0 163.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 15.3 m-20 -157.08 -49.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -46.54 -59.03 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.7 mt -69.41 62.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ASP . 13.2 t -52.25 147.25 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 50' ' ' LEU . 92.9 t -113.28 125.82 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -63.64 173.01 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.23 69.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.28 25.09 7.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -134.85 162.61 31.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -148.73 144.65 27.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.332 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' HG21 ' A' ' 44' ' ' VAL . 21.6 tp -85.38 121.98 28.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' LEU . 19.0 m -118.23 170.69 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 8.3 ttt85 -128.3 109.59 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 t -61.96 153.26 29.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.006 ' CE2' HG22 ' A' ' 16' ' ' VAL . 42.9 m-85 -109.15 12.22 25.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.445 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.8 mt -96.01 -62.41 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -103.19 -10.98 18.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.412 ' HB3' ' NE1' ' A' ' 102' ' ' TRP . 5.4 m 68.6 48.5 0.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -113.65 159.11 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CE1' ' HD2' ' A' ' 52' ' ' ARG . 89.7 m-85 -92.49 131.36 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -137.71 155.96 48.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 5.6 t -118.01 107.98 14.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.3 178.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HG2' ' A' ' 65' ' ' LYS . . . -98.87 134.83 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.6 -25.46 6.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.22 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 4.2 ptpt -66.61 -35.8 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.79 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -68.68 -21.98 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.393 1.058 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 64' ' ' ARG . 30.2 mt -84.75 148.8 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.652 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -158.5 27.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.375 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 8.8 tm-20 61.96 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.5 p -145.28 148.38 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.367 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -109.88 87.12 2.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.618 1.199 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.565 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.2 mm -74.73 -42.41 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.629 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.7 mt -69.4 -7.44 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -105.24 12.11 32.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 86' ' ' LEU . 36.4 mt -92.65 155.38 42.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.17 25.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -46.27 -29.08 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 82' ' ' THR . 0.3 OUTLIER -56.08 -54.88 39.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.3 mt-10 -59.95 -57.02 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.7 mt -44.54 -57.71 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -44.34 22.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 78' ' ' SER . 82.4 p -85.92 -88.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.429 1.081 . . . . 0.0 110.434 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.543 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -39.97 114.37 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -50.7 -40.61 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.889 HD13 HD13 ' A' ' 75' ' ' LEU . 95.1 mt -66.23 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -38.28 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -40.06 -49.69 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -57.23 -49.48 75.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.565 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.07 -46.95 86.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 mt -46.85 -51.15 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -65.8 -15.09 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mt -89.56 -10.74 44.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.629 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.08 -43.04 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.9 p -83.99 -37.71 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 63.41 46.12 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 97' ' ' VAL . 14.4 p -164.54 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.578 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.55 163.26 15.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.1 Cg_endo -75.0 147.68 34.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -25.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -58.77 -34.05 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CE3' HG11 ' A' ' 98' ' ' VAL . 12.5 m0 -78.48 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? 67.7 64.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.445 ' CG ' HG21 ' A' ' 98' ' ' VAL . 5.5 mmt -73.06 -80.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.81 32.13 6.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.5 tt -81.55 -25.35 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.6 m -62.03 -18.59 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -88.3 -24.75 23.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.63 -25.27 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -116.7 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 60.34 78.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.3 m 63.09 123.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.38 -155.42 22.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.57 5.12 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.423 1.749 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.7 t -133.17 142.32 48.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.926 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.6 t -90.84 148.58 22.41 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 0.0 110.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.52 135.46 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 p -167.88 166.4 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.3 -79.29 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.6 94.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -167.87 163.63 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.15 63.4 4.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 mt -138.1 -61.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -49.64 151.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.468 ' HB2' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -83.28 164.25 20.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -102.08 -34.08 9.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.7 mt -92.14 -36.75 13.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -83.08 148.56 27.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.752 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 76.83 2.17 75.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.682 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.0 161.89 20.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 0.721 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 54' ' ' PHE . 54.5 t -73.49 127.19 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 31' ' ' ALA . 18.2 m -127.8 157.94 39.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 p -99.47 125.67 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 29' ' ' TYR . 5.3 t -96.7 132.45 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.3 t -96.35 129.64 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -73.31 124.02 24.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.2 -51.6 66.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.1 m -76.52 -12.64 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -136.81 93.81 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.51 -11.22 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -91.99 -71.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 21' ' ' SER . 11.8 mm-40 -46.34 132.66 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CH2' HD21 ' A' ' 86' ' ' LEU . 34.4 p-90 -144.12 145.64 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.987 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.802 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -130.91 148.37 69.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 146.02 32.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.802 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -158.76 135.73 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD11 ' C ' ' A' ' 14' ' ' GLY . 16.7 tp -91.26 109.67 20.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.651 HG23 HG21 ' A' ' 17' ' ' VAL . 41.6 t -58.25 138.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.87 -173.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.231 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -129.03 146.52 61.07 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 18.0 Cg_endo -75.03 95.88 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.44 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -55.44 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 36' ' ' PRO . 6.0 p30 -57.78 133.99 55.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.4 -50.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -43.76 -50.2 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.0 mt -70.07 62.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASP . 10.3 t -52.35 143.33 15.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -113.32 131.06 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.16 -174.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -83.68 -38.32 21.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 25.27 4.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -134.63 164.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.247 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.8 150.51 32.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.3 tp -84.94 129.33 34.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 m -127.56 157.24 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -112.92 107.77 16.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 t -62.19 152.78 32.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.171 ' CE2' HG22 ' A' ' 16' ' ' VAL . 34.2 m-85 -108.3 16.93 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -99.96 -65.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -106.46 -9.12 16.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 5.9 p 67.89 47.0 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -108.64 171.25 7.53 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -95.57 127.95 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.806 ' HB3' HD11 ' A' ' 62' ' ' ILE . 81.2 m-85 -129.19 148.55 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.836 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -117.41 101.65 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.836 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.07 178.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.646 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.05 133.24 44.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -18.7 6.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.63 -15.03 59.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.752 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -97.62 -19.56 18.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG22 ' A' ' 19' ' ' VAL . 35.0 mt -85.12 150.98 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -162.96 137.04 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' LYS . 9.2 tm-20 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.9 p -146.6 127.52 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 74' ' ' ASN . 21.4 p-10 -93.02 87.6 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG22 ' CB ' ' A' ' 90' ' ' SER . 4.7 mm -72.51 -40.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.533 HD21 ' HE3' ' A' ' 94' ' ' LYS . 2.9 mt -66.26 -9.75 35.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' CB ' ' HB2' ' A' ' 71' ' ' ASP . 8.2 t30 -93.49 -3.31 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 75.5 mt -82.04 153.81 69.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.51 43.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.1 OUTLIER -58.03 -16.75 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -70.12 -61.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.961 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 83' ' ' LYS . 45.8 mm-40 -53.39 -45.73 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.77 HD22 ' OG ' ' A' ' 90' ' ' SER . 34.8 mt -64.24 -54.89 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 30.4 t -49.47 -22.98 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 78' ' ' SER . 69.4 p -104.75 -85.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -39.79 118.15 1.29 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -39.33 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.92 -45.5 96.44 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 54.5 mt -66.51 -56.29 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.364 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -36.92 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -42.9 -53.81 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.808 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -50.07 -56.61 10.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.77 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -56.7 -49.07 76.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.4 mt -47.59 -49.9 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 98' ' ' VAL . 41.2 t80 -66.49 -14.09 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.434 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.4 mt -91.32 -9.61 44.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.47 -44.88 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -82.72 -32.07 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 5.2 mmm180 58.27 38.83 26.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' VAL . 7.2 p -153.06 98.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -61.9 163.23 13.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -75.03 149.81 37.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.54 -24.96 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.62 -16.59 26.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.43 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 9.1 m0 -102.66 -54.51 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 59.76 57.69 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.524 ' SD ' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -58.23 -62.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.61 31.77 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 109' ' ' ILE . 16.8 tt -75.62 -15.8 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.3 m -60.17 -27.92 67.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -97.88 -14.4 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 106' ' ' ILE . 72.4 mt -75.01 -18.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -56.61 10.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.36 77.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 64.7 p -104.62 -34.08 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.91 -120.67 20.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.15 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.5 t -91.22 -58.62 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.42 140.8 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.46 153.8 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -160.44 125.24 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.02 88.88 0.28 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.55 124.5 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 66.6 158.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.46 130.01 2.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.4 mt -124.19 115.85 21.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -67.94 161.74 25.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.521 ' HB2' HD23 ' A' ' 13' ' ' LEU . 2.4 t0 -149.17 170.47 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.05 -39.56 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -90.34 -40.4 12.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -78.56 148.68 33.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.717 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 80.94 -1.35 84.73 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -120.56 171.49 8.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 54' ' ' PHE . 38.8 t -73.48 138.28 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.6 HG21 HG23 ' A' ' 33' ' ' VAL . 18.9 m -140.48 157.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 29.8 p -100.57 127.77 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 67' ' ' ILE . 29.8 t -99.68 121.28 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 66' ' ' ASP . 14.4 t -82.78 131.36 33.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -64.39 136.15 56.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.01 99.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 23' ' ' THR . 30.4 m -102.6 26.04 8.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' SER . 2.0 mt-10 -173.12 110.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 7.1 mpt_? -81.42 -15.3 55.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -82.81 -58.4 2.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.145 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.76 117.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.64 ' CH2' HD21 ' A' ' 86' ' ' LEU . 50.4 p-90 -135.85 154.24 51.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 1.012 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -136.39 142.03 38.02 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.95 143.24 28.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.012 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -157.28 144.92 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD11 ' O ' ' A' ' 14' ' ' GLY . 36.6 tp -94.58 114.46 26.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.8 t -66.86 146.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.775 HG21 HH21 ' A' ' 52' ' ' ARG . 2.6 pt -158.73 -172.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 p -126.48 131.67 24.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 70.19 5.39 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.19 -57.48 2.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.061 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -30.54 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -90.38 162.46 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -141.4 -53.76 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.7 m-20 -50.72 -37.67 42.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.7 mm -56.84 88.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 21.9 m -77.62 104.77 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.65 139.83 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -73.92 169.86 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.62 -2.45 42.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -122.27 21.55 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -136.7 164.79 27.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.63 152.4 37.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 108.209 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -88.3 129.27 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG23 ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -128.48 163.7 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.775 HH21 HG21 ' A' ' 34' ' ' ILE . 4.7 mtm180 -119.71 108.84 14.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -63.74 153.89 34.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.085 ' CE2' HG22 ' A' ' 16' ' ' VAL . 52.0 m-85 -109.36 10.94 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 97.6 mt -95.47 -63.94 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -102.09 -7.51 22.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.1 m 64.71 52.59 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.1 mmtt -115.59 173.8 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.372 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 57.6 m-85 -108.27 105.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 62' ' ' ILE . 97.7 m-85 -110.52 148.6 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.808 ' C ' HD13 ' A' ' 62' ' ' ILE . 9.5 t -117.02 105.99 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.808 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.02 178.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' OD2' ' A' ' 66' ' ' ASP . . . -88.03 138.16 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -58.99 -14.94 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -74.15 -33.12 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.0 p30 -81.67 -17.19 48.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 19' ' ' VAL . 25.7 mt -87.21 131.36 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -153.54 138.02 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' LYS . 10.4 tm-20 -37.01 141.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG21 ' CH2' ' A' ' 28' ' ' TRP . 8.1 p -142.98 133.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 5.2 m-20 -92.58 88.86 6.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -79.49 -46.33 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.644 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.0 mt -66.72 -9.3 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 55.5 t30 -96.88 3.77 51.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 86' ' ' LEU . 73.9 mt -85.94 153.92 57.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.9 30.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -45.87 -26.6 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.8 -60.23 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.4 mm-40 -53.02 -48.66 67.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.47 -57.42 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -46.45 -43.59 16.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 78' ' ' SER . 81.4 p -82.94 -83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -47.83 121.41 8.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -46.86 -52.7 11.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.655 HD13 HD13 ' A' ' 75' ' ' LEU . 70.1 mt -57.41 -48.41 79.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -53.73 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -39.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.34 68.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.644 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -61.73 -45.88 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.0 mt -47.51 -51.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD1' HG13 ' A' ' 98' ' ' VAL . 11.0 t80 -64.73 -14.71 59.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.594 1.184 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -90.57 -10.62 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.52 -48.58 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.9 ' O ' HG12 ' A' ' 97' ' ' VAL . 23.3 p -81.74 -5.99 58.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 23.0 mmt180 37.17 34.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.9 HG12 ' O ' ' A' ' 95' ' ' THR . 4.1 p -146.21 117.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -82.57 163.26 52.75 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.23 42.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 102' ' ' TRP . 4.1 m-20 -47.53 -35.61 9.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -49.84 -23.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.727 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 8.9 m0 -99.58 -58.15 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 70.27 80.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.54 ' SD ' HG21 ' A' ' 98' ' ' VAL . 77.3 mtp -127.21 -178.02 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t0 178.21 44.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.15 -23.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -10.6 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.49 -13.4 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.2 mt -79.99 -18.16 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -56.25 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.05 127.0 53.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 117.06 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 114' ' ' PRO . . . 161.82 136.12 1.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 113' ' ' GLY . 18.1 Cg_endo -75.0 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -39.34 134.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.1 t -174.7 134.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -121.38 119.03 30.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.104 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -110.45 169.11 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.42 66.49 0.55 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.427 1.08 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 163.48 15.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.07 150.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.83 134.07 1.59 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.5 mt -145.38 71.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.614 0.832 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -128.61 -47.55 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 169.85 147.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 13.8 pt-20 -86.34 -50.57 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 7.1 mt -74.94 -41.11 60.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.6 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -70.15 144.4 52.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.588 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 73.9 15.79 79.56 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -129.14 159.16 36.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.22 HG22 ' CE2' ' A' ' 54' ' ' PHE . 43.0 t -73.54 130.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' ALA . 17.2 m -134.07 160.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 83.9 p -98.86 131.97 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 62' ' ' ILE . 38.5 t -103.47 125.15 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' ASP . 19.5 t -89.84 128.32 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -71.23 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -47.87 82.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.1 m -84.16 0.08 50.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -150.39 80.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.227 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -54.69 -18.79 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -81.91 -75.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.32 132.0 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.4 p-90 -144.23 146.79 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.902 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.4 p90 -133.53 149.46 72.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.436 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 134.63 17.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.902 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -145.69 136.87 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 15' ' ' LYS . 31.9 tp -91.06 110.88 22.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 17' ' ' VAL . 61.9 t -58.21 143.48 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.2 pt -156.85 178.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -121.04 145.68 42.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 99.31 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.63 -59.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.079 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.0 p -85.6 -39.66 17.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.271 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -70.06 113.81 7.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -110.45 -55.45 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.95 -55.17 5.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 42' ' ' ILE . 3.3 mt -70.25 61.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.6 t -52.22 145.91 10.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -112.25 127.7 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 164.25 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.4 75.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.4 25.49 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -141.62 162.29 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.92 154.71 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 60' ' ' TYR . 29.6 tp -87.12 136.76 32.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 5.0 m -133.69 158.82 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.502 ' HD2' HD13 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -119.22 105.56 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -63.84 134.09 54.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.22 ' CE2' HG22 ' A' ' 16' ' ' VAL . 56.8 m-85 -88.47 20.45 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.1 mt -100.11 -64.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -102.39 -7.09 22.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t 65.04 42.9 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -108.09 -171.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.228 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 73.6 m-85 -117.13 128.6 55.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 62' ' ' ILE . 73.1 m-85 -127.47 156.55 41.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.818 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.19 101.28 7.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.818 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.75 178.59 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.46 138.11 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -21.64 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -74.93 -26.62 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -84.13 -20.96 31.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mt -86.19 143.33 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -159.81 139.79 11.63 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -37.27 147.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 4.2 p -146.53 138.91 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -101.46 87.28 3.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.52 HG22 ' HB3' ' A' ' 90' ' ' SER . 4.3 mm -79.56 -39.62 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.047 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 94' ' ' LYS . 5.8 mt -73.49 -4.18 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -109.6 12.57 24.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 86' ' ' LEU . 23.9 mt -89.08 156.54 49.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.55 35.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -20.47 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -62.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.9 mt-10 -52.52 -58.84 5.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.63 -54.62 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -49.43 -36.16 21.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' LYS . 70.0 p -94.7 -85.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -36.84 112.9 0.58 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -29.63 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -49.33 40.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.858 HD13 HD13 ' A' ' 75' ' ' LEU . 80.6 mt -55.82 -60.8 2.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -36.58 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -41.65 -58.49 1.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -47.74 -50.15 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.52 ' HB3' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -59.31 -46.88 87.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.1 mt -48.82 -47.41 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CD1' HG13 ' A' ' 98' ' ' VAL . 81.5 t80 -66.8 -13.23 61.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.8 mt -93.67 -9.35 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.54 -46.61 2.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -83.0 -23.57 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 19.6 mmm180 49.95 41.5 23.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.6 p -163.08 105.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.719 HG21 ' SD ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -62.23 163.1 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.4 Cg_endo -74.98 155.02 42.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -47.47 -39.81 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -48.51 -26.1 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD1' ' HG2' ' A' ' 99' ' ' PRO . 10.7 m0 -92.14 -60.54 1.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 60.52 62.92 1.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.719 ' SD ' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -55.66 -164.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.23 -55.12 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 109' ' ' ILE . 15.1 tt -77.35 -23.32 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 t -56.97 -40.6 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -80.14 -9.94 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 106' ' ' ILE . 83.1 mt -86.82 -19.39 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.39 -61.18 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 61.71 160.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 m 61.88 121.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -81.09 -155.64 13.1 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.85 4.46 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m 66.47 97.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.75 -87.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.585 1.178 . . . . 0.0 111.026 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t 64.98 121.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -164.25 140.36 6.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.19 -176.02 37.61 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -169.04 109.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.057 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.91 168.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.1 -177.02 14.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt 71.74 71.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.227 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -147.45 159.14 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -77.58 157.84 30.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.21 -63.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.648 HD22 HG11 ' A' ' 17' ' ' VAL . 6.4 mt -70.16 -47.31 62.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -62.49 144.61 55.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.689 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 66.15 17.56 65.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.631 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 pttt -130.54 155.44 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.143 HG22 ' CE2' ' A' ' 54' ' ' PHE . 10.5 t -73.37 135.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.648 HG11 HD22 ' A' ' 12' ' ' LEU . 14.4 m -137.3 159.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.4 p -102.06 128.06 48.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.691 ' CG1' HG21 ' A' ' 62' ' ' ILE . 32.5 t -99.57 130.62 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.2 t -91.99 129.96 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.4 m -75.21 121.75 22.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -22.56 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -89.69 -29.16 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' THR . 5.6 pt-20 -145.38 77.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HA ' HG12 ' A' ' 20' ' ' VAL . 18.6 mmt85 -36.62 -32.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . 1.1 m -60.48 -65.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.69 128.85 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CH2' HD21 ' A' ' 86' ' ' LEU . 38.6 p-90 -140.88 143.94 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.817 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -130.56 145.51 57.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.07 149.48 36.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -162.36 139.66 8.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' C ' ' A' ' 14' ' ' GLY . 32.9 tp -94.27 115.6 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 34' ' ' ILE . 78.9 t -62.39 151.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 33' ' ' VAL . 11.8 pt -160.7 -177.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.1 t -119.71 136.86 25.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.55 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.769 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -97.02 -56.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 m -79.68 -56.03 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.22 139.58 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.49 -61.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 1.5 m-20 -45.18 -54.05 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 42' ' ' ILE . 47.6 mm -69.93 62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -52.21 133.73 33.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.459 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.59 118.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 157.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -62.83 -38.84 92.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -92.38 23.01 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.59 154.43 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.54 146.96 46.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 108.336 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 59' ' ' PHE . 28.7 tp -84.98 114.2 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG12 HG22 ' A' ' 33' ' ' VAL . 8.4 m -111.33 153.7 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NH1' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -111.55 112.23 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -62.67 152.88 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.143 ' CE2' HG22 ' A' ' 16' ' ' VAL . 44.7 m-85 -108.53 16.45 22.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.446 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 96.7 mt -99.85 -64.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -105.93 -12.16 15.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t 71.36 53.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -114.3 163.56 15.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.651 ' CE2' ' NH1' ' A' ' 52' ' ' ARG . 66.8 m-85 -94.69 118.47 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.766 ' HB3' HD11 ' A' ' 62' ' ' ILE . 85.6 m-85 -117.5 151.97 36.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.814 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -117.85 100.29 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.84 178.74 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' CG ' ' A' ' 66' ' ' ASP . . . -101.86 136.39 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -55.69 -18.67 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -10.6 59.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.745 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -101.28 -22.77 14.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 150.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -161.01 137.12 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -38.36 144.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 72' ' ' ILE . 2.6 p -146.52 143.79 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 25.0 m-20 -104.3 83.93 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 72' ' ' ILE . 4.0 mm -72.64 -39.26 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD21 ' HE3' ' A' ' 94' ' ' LYS . 1.1 mt -69.65 -6.84 34.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 18.2 t30 -99.64 -3.37 33.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 86' ' ' LEU . 21.1 mt -75.71 154.32 85.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.42 -29.1 2.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.32 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.049 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 8.6 mt-10 -46.06 -52.79 11.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.882 HD22 ' OG ' ' A' ' 90' ' ' SER . 47.2 mt -53.16 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -44.21 -58.61 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 83' ' ' LYS . 55.0 p -66.43 -83.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.799 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -49.93 116.02 5.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -45.05 -34.52 4.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 83' ' ' LYS . 25.3 mt -77.99 -53.27 7.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.15 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.66 -55.62 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.659 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -45.83 -49.9 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.882 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.1 -49.46 75.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.956 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.486 HG23 HG21 ' A' ' 95' ' ' THR . 12.5 mt -50.29 -42.31 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CD1' HG13 ' A' ' 98' ' ' VAL . 86.3 t80 -71.08 -13.39 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.0 mt -93.36 -9.97 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HE3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.68 -53.77 2.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 91' ' ' ILE . 16.5 p -78.28 -11.85 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.135 . . . . 0.0 110.405 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' PHE . 18.1 mmm180 37.25 53.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 97' ' ' VAL . 12.3 p -168.63 108.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.26 163.2 14.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 152.97 41.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -50.79 -27.59 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.64 -18.99 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 109.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 11.0 m0 -96.21 -61.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 107.955 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 65.63 51.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 9.1 mmt -69.56 160.03 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -171.33 48.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 109' ' ' ILE . 2.3 tt -101.89 -25.52 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -62.45 -15.96 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.89 -19.03 16.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 106' ' ' ILE . 85.9 mt -71.64 -29.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.76 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 40.46 73.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.68 166.17 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.99 153.23 29.29 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.9 5.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.9 t -145.65 140.48 27.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.025 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -76.98 131.32 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.48 1.112 . . . . 0.0 110.931 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.2 83.92 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 0.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.76 91.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.36 161.05 31.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.96 -58.25 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 0.83 . . . . 0.0 109.941 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.71 171.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 110.16 2.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -103.77 -29.5 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' ASP . 22.5 m-20 -106.14 99.13 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 1.9 m-20 61.5 124.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.5 pt-20 -82.79 -52.03 7.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.949 HD23 ' HD3' ' A' ' 15' ' ' LYS . 12.1 mt -75.47 -51.83 12.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -49.96 141.9 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.612 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.74 23.32 68.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.949 ' HD3' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -129.15 163.65 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.138 HG22 ' CE2' ' A' ' 54' ' ' PHE . 19.1 t -84.89 121.94 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG11 HD22 ' A' ' 12' ' ' LEU . 15.0 m -124.16 168.3 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 78.9 p -103.47 130.99 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.623 HG11 ' HE2' ' A' ' 29' ' ' TYR . 41.0 t -101.75 114.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 66' ' ' ASP . 12.4 t -81.99 130.83 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 t -75.91 134.31 40.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.92 60.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.078 . . . . 0.0 109.358 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.5 p -99.18 -27.2 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.7 tp10 -144.98 81.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.3 mtt180 -37.58 -44.2 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.511 1.132 . . . . 0.0 110.241 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -53.22 -64.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -52.38 124.34 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' ' HB2' ' A' ' 18' ' ' SER . 42.3 p-90 -143.83 144.71 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.859 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 1.1 p90 -132.37 147.43 65.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.6 Cg_endo -75.0 138.1 22.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.859 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -147.82 136.02 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 15' ' ' LYS . 17.0 tp -91.22 112.61 24.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 34' ' ' ILE . 68.4 t -58.94 149.96 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 33' ' ' VAL . 5.7 pt -159.12 -179.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.7 p -123.7 137.78 29.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 67.32 5.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.451 1.763 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -91.87 -59.74 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.09 148.9 45.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -53.79 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 m-20 -53.99 -34.48 59.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.15 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m -83.41 108.27 16.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.1 t -99.71 127.38 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -169.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -89.11 -41.97 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.32 25.47 3.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 62.5 mt-30 -126.61 164.49 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.72 149.07 30.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' ' 59' ' ' PHE . 62.8 tp -86.7 128.39 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 7.6 m -126.47 174.2 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -132.62 103.53 6.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -62.14 136.83 58.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.138 ' CE2' HG22 ' A' ' 16' ' ' VAL . 70.9 m-85 -89.6 21.81 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 78.9 mt -100.51 -63.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 56.4 t0 -102.95 -20.15 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.41 ' HB2' ' NE1' ' A' ' 102' ' ' TRP . 3.6 p 78.74 39.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -106.01 179.48 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.641 ' HB3' HD11 ' A' ' 50' ' ' LEU . 68.2 m-85 -105.69 136.53 45.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.647 ' HB3' HD11 ' A' ' 62' ' ' ILE . 70.0 m-85 -139.81 150.58 44.88 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.816 ' C ' HD13 ' A' ' 62' ' ' ILE . 7.3 t -117.64 105.13 11.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.816 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -114.52 178.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -98.59 136.22 39.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.609 1.193 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -56.74 -17.9 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -14.12 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.598 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -99.82 -12.36 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.3 mt -96.73 144.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.0 144.06 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.25 147.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 3.7 p -147.04 147.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.386 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -112.52 86.52 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.571 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.5 mm -77.84 -41.44 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 73' ' ' LEU . 1.1 mt -71.48 -6.73 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -103.3 0.74 31.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.542 HD13 HD13 ' A' ' 86' ' ' LEU . 34.1 mt -80.71 154.32 73.38 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.165 . . . . 0.0 109.235 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.26 31.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -52.47 -20.43 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.708 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -65.18 -48.2 74.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mm-40 -67.68 -46.21 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.612 HD22 ' OG ' ' A' ' 90' ' ' SER . 33.4 mt -64.14 -54.75 28.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 45.1 t -48.13 -23.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 78' ' ' SER . 81.7 p -106.23 -85.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -39.21 122.22 1.3 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -48.72 -53.95 15.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 30' ' ' PRO . 58.1 mt -56.36 -56.9 15.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -36.03 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -61.75 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -40.15 -49.52 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -62.42 -48.74 78.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 95' ' ' THR . 9.4 mt -48.2 -46.58 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CD1' HG13 ' A' ' 98' ' ' VAL . 82.2 t80 -68.84 -14.37 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mt -91.5 -9.91 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -115.39 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.065 . . . . 0.0 109.244 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' ILE . 44.7 p -84.55 -37.09 21.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 63.59 37.53 10.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 97' ' ' VAL . 6.1 p -155.12 101.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.582 HG13 ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -62.01 163.15 14.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.2 Cg_endo -74.99 150.02 37.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.03 -28.14 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -55.47 -26.69 43.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 8.5 m0 -88.51 -61.19 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.37 68.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.404 ' HG2' HG21 ' A' ' 98' ' ' VAL . 3.9 mmt -56.4 -179.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.1 -51.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.5 tt -84.16 -36.04 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -53.27 -21.96 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.75 -24.87 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.85 -17.79 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.0 -56.77 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 57.08 168.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -154.84 170.14 22.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.23 106.75 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 172.62 15.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.81 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -75.75 167.75 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.942 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 t -64.01 -56.14 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.433 1.083 . . . . 0.0 111.018 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.54 149.15 14.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.92 142.06 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.86 -155.52 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.34 98.76 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -43.84 137.78 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.69 82.87 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.58 127.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.02 -65.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HB2' ' CB ' ' A' ' 13' ' ' LEU . 5.6 p-10 178.0 115.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 11.7 pt-20 -88.89 -45.72 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.419 HD23 ' HE2' ' A' ' 15' ' ' LYS . 39.3 mt -85.43 -51.03 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -47.95 152.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.603 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 50.11 21.6 4.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -134.95 149.66 50.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 0.717 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.064 HG22 ' CE2' ' A' ' 54' ' ' PHE . 51.4 t -73.18 134.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' ALA . 15.9 m -132.95 162.38 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' VAL . 5.3 p -102.59 122.64 44.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG11 ' HE2' ' A' ' 29' ' ' TYR . 8.7 t -93.93 127.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 66' ' ' ASP . 17.1 t -92.11 125.17 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.488 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 7.4 t -73.94 127.49 33.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.46 -54.01 51.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -76.72 -2.17 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.0 OUTLIER -145.14 72.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -50.06 -23.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -82.66 -69.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.34 132.39 16.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 39.8 p-90 -143.87 146.19 32.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.893 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -128.71 146.79 61.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.4 1.062 . . . . 0.0 110.989 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.851 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.97 144.09 29.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.893 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.39 138.06 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 15' ' ' LYS . 34.2 tp -91.41 126.41 36.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 34' ' ' ILE . 79.0 t -71.27 140.71 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 33' ' ' VAL . 21.1 pt -157.37 -178.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -122.83 144.9 43.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.53 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -55.29 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -71.9 175.03 6.17 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -60.92 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' THR . 3.4 m-20 -56.25 -40.44 74.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mm -61.46 82.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.3 m -80.39 120.1 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -99.68 146.02 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -74.17 -170.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -21.02 17.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -93.08 -20.13 20.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -103.86 163.42 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.26 151.59 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.345 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 tp -85.86 121.56 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.55 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.9 m -116.56 160.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -115.66 111.85 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 t -62.25 153.78 29.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.064 ' CE2' HG22 ' A' ' 16' ' ' VAL . 28.4 m-85 -111.99 9.43 20.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 92.8 mt -94.79 -64.3 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.0 -12.75 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p 72.26 50.34 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -107.55 172.95 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -104.53 107.96 19.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 62' ' ' ILE . 90.6 m-85 -109.47 152.81 24.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.778 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -119.68 99.53 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.977 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.33 178.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.79 134.86 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -54.27 -19.69 5.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -20.19 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.763 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.5 m-20 -92.22 -17.46 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.9 mt -86.85 147.07 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -160.24 139.84 11.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.5 mt-10 -38.07 144.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 18' ' ' SER . 4.6 p -143.62 148.06 19.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -111.91 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.942 HG22 ' OG ' ' A' ' 90' ' ' SER . 5.3 mm -76.59 -41.14 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.639 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.85 -6.33 40.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -104.08 8.87 36.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 86' ' ' LEU . 57.0 mt -89.93 156.04 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.1 Cg_endo -75.09 135.3 18.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -56.52 -58.86 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' LYS . 55.4 mm-40 -55.9 -48.76 75.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.56 -54.34 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -51.72 -45.82 63.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' SER . 72.0 p -81.7 -85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.637 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.58 118.5 2.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -43.73 -43.39 6.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.851 HD23 ' HG3' ' A' ' 30' ' ' PRO . 48.7 mt -65.99 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -38.3 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -41.72 -59.22 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.938 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.86 -49.66 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.942 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -61.12 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mt -46.93 -50.18 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.8 mt -90.97 -11.01 40.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.7 -41.71 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 61.58 36.51 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 97' ' ' VAL . 13.3 p -153.03 106.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.38 163.3 14.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 153.88 41.98 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -44.82 -45.99 10.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -42.77 -28.47 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' HG11 ' A' ' 98' ' ' VAL . 10.3 m0 -92.32 -60.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.993 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 tttt 58.64 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.552 ' HG3' HG21 ' A' ' 98' ' ' VAL . 2.5 mmt -84.92 163.76 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 177.22 52.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -23.73 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -78.34 -13.96 59.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.0 mt -79.39 -13.74 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.234 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mt -110.82 -65.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.89 -66.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -172.52 75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 168.79 157.81 11.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.593 1.183 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.07 17.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.5 t -128.92 89.41 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.1 m 63.11 91.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.99 79.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -133.62 118.41 18.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.117 . . . . 0.0 110.051 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.77 -119.39 2.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m 61.96 101.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -102.66 170.98 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.8 -79.23 0.51 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.53 104.63 6.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -90.73 165.54 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -107.61 162.71 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 10.2 pt-20 -103.01 -46.97 4.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.4 mt -84.34 -42.95 15.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -77.85 149.55 34.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 78.4 1.4 81.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.39 168.9 11.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.734 HG11 ' HB1' ' A' ' 89' ' ' ALA . 72.7 t -74.08 139.66 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' ' 33' ' ' VAL . 12.3 m -148.34 161.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 p -99.42 123.15 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 62' ' ' ILE . 41.6 t -93.41 131.27 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' ASP . 18.0 t -95.8 127.75 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 6.5 t -78.5 129.15 34.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.76 4.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 t -71.48 -13.7 61.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.458 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -133.16 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.8 mmt180 -42.3 -28.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 24' ' ' GLU . 1.2 m -75.43 -74.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -47.46 130.87 13.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' CH2' HD21 ' A' ' 86' ' ' LEU . 46.7 p-90 -141.92 143.78 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 1.9 p90 -126.83 150.31 71.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 151.62 40.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -164.63 137.7 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 14' ' ' GLY . 19.7 tp -91.14 101.73 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.375 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . 94.2 t -54.51 144.7 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.182 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 33' ' ' VAL . 10.7 pt -153.81 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -125.99 142.58 42.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.466 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 18.3 Cg_endo -74.98 86.62 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t -102.74 -60.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -59.07 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.504 ' CB ' HD12 ' A' ' 42' ' ' ILE . 3.4 p30 -62.85 171.34 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -147.87 -59.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' THR . 4.7 m-20 -46.66 -50.27 17.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.504 HD12 ' CB ' ' A' ' 39' ' ' ASN . 96.7 mt -40.57 98.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -80.52 116.3 20.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.6 t -110.74 115.23 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -51.66 179.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -78.06 -37.85 45.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.12 25.19 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -129.4 155.63 45.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 155.52 43.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.376 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 59' ' ' PHE . 41.0 tp -85.93 141.89 29.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' VAL . 4.9 m -138.91 163.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -121.37 105.64 10.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -62.28 153.34 31.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' A' ' 16' ' ' VAL . 64.8 m-85 -109.9 16.1 22.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.5 mt -101.28 -64.54 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.08 -8.07 17.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.7 t 63.83 55.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -116.13 169.01 9.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 55.5 m-85 -101.1 114.53 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 62' ' ' ILE . 76.9 m-85 -116.52 156.73 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.8 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -119.92 101.01 7.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -111.99 178.43 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.28 137.87 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -17.07 9.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.63 -18.31 54.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -92.55 -17.91 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.1 mt -84.84 147.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -164.97 145.1 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -37.66 151.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 72' ' ' ILE . 14.7 p -133.22 163.52 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 5.8 m-20 -119.29 43.85 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.653 HD12 HD22 ' A' ' 86' ' ' LEU . 15.5 mm -48.54 -61.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.3 mt -67.61 -7.86 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 2.7 m-80 -106.52 10.64 31.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.559 HD22 ' OE1' ' A' ' 79' ' ' GLU . 18.2 mt -91.64 157.29 42.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.73 24.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -26.73 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.625 ' O ' HG23 ' A' ' 82' ' ' THR . 0.6 OUTLIER -57.56 -56.9 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE1' HD22 ' A' ' 75' ' ' LEU . 7.8 mt-10 -59.1 -56.02 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.417 HD22 ' OG ' ' A' ' 90' ' ' SER . 49.3 mt -47.34 -59.68 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 t -45.59 -52.32 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 78' ' ' SER . 68.6 p -75.01 -86.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.712 ' CB ' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -40.51 116.75 1.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.63 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -49.78 -48.04 37.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 ' CB ' ' A' ' 83' ' ' LYS . 62.3 mt -58.57 -65.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -35.22 -66.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -45.17 -65.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.734 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -44.08 -42.9 6.52 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -62.08 -48.8 78.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 95' ' ' THR . 9.7 mt -49.01 -43.04 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.497 ' HD2' HG23 ' A' ' 16' ' ' VAL . 84.6 t80 -71.02 -14.52 62.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD12 ' HB ' ' A' ' 72' ' ' ILE . 6.6 mt -91.3 -10.53 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' SER . 0.2 OUTLIER -114.75 -41.75 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 91' ' ' ILE . 43.6 p -85.78 -39.13 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 4.5 mmm180 65.24 35.32 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 97' ' ' VAL . 7.3 p -151.82 103.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.667 HG21 ' HG2' ' A' ' 104' ' ' MET . 0.4 OUTLIER -61.86 162.86 14.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASN . 18.5 Cg_endo -75.04 144.14 29.76 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.445 1.761 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -24.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 99' ' ' PRO . 29.5 m-20 -55.31 -33.01 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 52' ' ' ARG . 18.6 m0 -85.65 -62.43 1.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER 87.26 -17.81 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.667 ' HG2' HG21 ' A' ' 98' ' ' VAL . 1.3 mmt 45.02 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.52 -59.59 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 tt -83.72 -30.09 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.453 ' CB ' ' HG3' ' A' ' 104' ' ' MET . 0.5 OUTLIER -60.44 -25.56 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.048 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -90.24 -18.72 25.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 37.5 mt -76.58 -15.8 14.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -88.2 -63.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.13 137.36 11.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.2 t -106.76 101.88 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.65 154.07 6.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 124.89 8.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -177.89 151.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.3 p -126.57 148.23 49.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 104' ' ' MET . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m -150.57 -64.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.74 153.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.09 -79.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.164 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -162.28 -63.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -169.67 151.82 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.18 -137.78 6.65 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 30.6 mt -101.81 48.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 0.815 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 2.3 t-20 77.79 -57.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 2.3 m-20 61.18 127.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.8 pt-20 -84.84 -52.13 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.924 HD23 ' HE3' ' A' ' 15' ' ' LYS . 10.7 mt -74.55 -46.94 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -61.61 140.97 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.593 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 62.32 26.6 68.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.924 ' HE3' HD23 ' A' ' 12' ' ' LEU . 1.3 tttt -136.25 152.07 50.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.091 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.9 t -72.37 136.22 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 12' ' ' LEU . 14.9 m -136.71 159.7 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -98.99 122.31 42.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.604 HG11 ' HE1' ' A' ' 29' ' ' TYR . 31.1 t -94.69 122.58 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 66' ' ' ASP . 21.9 t -85.37 130.8 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -68.8 137.22 53.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.42 1.075 . . . . 0.0 110.001 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -60.39 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 23' ' ' THR . 26.7 m -90.13 22.13 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER -163.45 62.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -41.22 -38.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -59.73 -73.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.5 130.8 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.201 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.88 143.96 31.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 108.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.822 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -130.05 147.12 64.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.63 ' HG3' HD23 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 146.71 33.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.566 1.824 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -159.09 138.47 11.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD11 ' C ' ' A' ' 14' ' ' GLY . 30.8 tp -91.28 118.27 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 34' ' ' ILE . 99.9 t -69.12 146.46 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' VAL . 14.2 pt -153.61 -173.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -125.92 127.26 24.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.053 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 96.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 t -102.26 -56.22 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.56 -58.5 3.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 108.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -48.87 122.01 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -111.35 -59.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -45.37 -55.33 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 42' ' ' ILE . 7.2 mt -70.94 60.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 t -65.8 142.65 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 50' ' ' LEU . 89.6 t -113.32 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -55.66 -170.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -33.77 12.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.73 22.13 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -138.9 162.2 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -138.93 151.07 46.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.321 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.662 ' HB2' HG21 ' A' ' 44' ' ' VAL . 23.9 tp -84.93 116.03 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 33' ' ' VAL . 4.6 m -111.83 155.3 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.598 ' HD3' ' HE3' ' A' ' 104' ' ' MET . 5.6 ttt180 -114.56 116.52 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -63.43 153.65 34.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.142 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.091 ' CE2' HG22 ' A' ' 16' ' ' VAL . 29.0 m-85 -110.43 8.96 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 94.6 mt -93.88 -64.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 57' ' ' SER . 19.2 t70 -105.45 -20.13 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.2 m 82.57 46.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.03 154.13 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -91.69 119.5 31.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.751 ' HB3' HD11 ' A' ' 62' ' ' ILE . 84.3 m-85 -121.54 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.813 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.32 100.71 7.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.813 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.24 178.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.74 137.02 39.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -31.62 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.1 -27.84 67.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.732 ' OD2' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -86.8 -24.96 24.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.367 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.75 139.35 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.88 137.78 13.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -38.62 142.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG21 ' CH2' ' A' ' 28' ' ' TRP . 9.0 p -138.35 154.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.225 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.11 86.94 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.83 HG22 ' OG ' ' A' ' 90' ' ' SER . 6.2 mm -83.23 -40.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.655 HD21 ' HG2' ' A' ' 94' ' ' LYS . 6.5 mt -71.0 -5.42 31.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 21.8 m-80 -107.96 12.29 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 86' ' ' LEU . 23.8 mt -87.93 154.83 52.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 144.47 29.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -22.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.354 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.88 -49.51 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' LYS . 64.3 mm-40 -65.92 -47.04 76.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.84 -55.65 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.1 t -50.8 -38.65 49.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 78' ' ' SER . 61.1 p -89.2 -88.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.188 . . . . 0.0 110.444 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -41.47 117.96 1.74 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.399 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -53.43 -53.24 36.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.766 HD13 HD13 ' A' ' 75' ' ' LEU . 84.5 mt -55.01 -59.63 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.95 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -61.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.382 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -41.14 -49.16 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.83 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -63.46 -46.34 86.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 95' ' ' THR . 9.4 mt -49.07 -46.67 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -68.12 -13.97 62.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.3 mt -90.69 -12.34 37.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.655 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -114.68 -44.06 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.355 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.41 HG21 HG23 ' A' ' 91' ' ' ILE . 53.1 p -82.22 -31.98 30.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 55.37 42.77 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.594 HG23 HG12 ' A' ' 106' ' ' ILE . 14.8 p -162.12 112.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.717 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -70.16 163.16 64.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.5 Cg_endo -74.85 150.18 38.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -50.38 -23.09 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -62.92 -26.38 68.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.717 ' CE3' HG11 ' A' ' 98' ' ' VAL . 14.3 m0 -85.44 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.62 72.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.598 ' HE3' ' HD3' ' A' ' 52' ' ' ARG . 3.3 mtt -93.28 -77.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -173.61 41.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.594 HG12 HG23 ' A' ' 97' ' ' VAL . 0.8 OUTLIER -150.3 -46.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -43.34 -32.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -36.33 19.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 106' ' ' ILE . 71.7 mt -56.18 -19.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 97' ' ' VAL . 0.6 OUTLIER -49.52 -68.38 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.99 76.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.0 p -102.25 168.37 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.83 -125.08 2.45 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 36.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.418 1.746 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.31 -58.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.2 m 64.32 118.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p 55.31 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -176.39 -58.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.83 -166.26 12.5 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -83.0 -60.14 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.46 95.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.48 -175.34 15.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 mt -145.43 102.58 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -121.67 -45.86 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER 173.62 157.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.376 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 8.6 pt-20 -86.22 -43.9 12.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD22 ' CE ' ' A' ' 15' ' ' LYS . 48.7 mt -86.2 -49.43 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -51.58 143.0 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.722 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 68.44 19.1 72.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -129.18 158.17 39.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 0.803 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 54' ' ' PHE . 33.1 t -73.84 137.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' HA ' HG12 ' A' ' 70' ' ' VAL . 11.1 m -139.97 162.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.1 p -100.19 130.23 46.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 67' ' ' ILE . 39.7 t -103.52 123.65 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 66' ' ' ASP . 11.5 t -85.85 126.36 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.26 130.2 37.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -24.14 63.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 m -85.28 -22.74 28.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.04 86.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -39.44 -47.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -49.85 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.453 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.82 129.31 22.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -143.08 144.47 32.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 107.995 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.881 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -130.54 145.6 58.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.6 Cg_endo -74.96 145.1 31.18 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.881 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -158.18 139.44 13.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.2 tp -91.79 115.31 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 34' ' ' ILE . 52.0 t -61.2 144.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 33' ' ' VAL . 12.9 pt -160.27 175.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 70.3 p -124.38 139.92 33.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG3' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.03 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -59.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.093 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.09 -61.58 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -42.94 136.94 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.47 -61.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -45.3 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.6 90.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 m -73.69 114.77 12.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HG3' ' A' ' 36' ' ' PRO . 77.5 t -106.15 114.15 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -53.87 167.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.47 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.27 24.16 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -129.87 163.72 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.69 153.42 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.23 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' ILE . 39.2 tp -86.19 128.05 34.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.525 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 2.7 m -127.75 164.32 29.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 6.6 ttt180 -122.53 111.91 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.2 t -61.99 151.99 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.167 ' CE2' HG22 ' A' ' 16' ' ' VAL . 38.9 m-85 -108.44 13.05 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -99.14 -64.09 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 57' ' ' SER . 10.8 t0 -102.44 -22.42 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.9 p 82.89 43.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.1 177.84 4.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -114.33 115.39 27.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' A' ' 62' ' ' ILE . 95.0 m-85 -120.44 152.14 38.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.64 1.212 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.809 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -116.95 105.53 12.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.809 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -115.05 178.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -96.68 130.83 43.83 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -21.48 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 1.8 ptpp? -74.18 -31.23 62.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 m-20 -80.09 -14.5 58.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 19' ' ' VAL . 18.5 mt -93.74 150.49 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.694 ' NZ ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -155.68 146.17 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -48.42 142.81 5.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 17' ' ' VAL . 6.9 p -142.03 151.98 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 28.9 m-20 -117.08 81.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.589 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.8 mm -68.25 -38.48 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.718 HD21 ' HG2' ' A' ' 94' ' ' LYS . 7.6 mt -67.59 -8.93 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 5.4 m-20 -99.71 9.2 43.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD13 HD13 ' A' ' 86' ' ' LEU . 71.5 mt -90.51 154.07 46.16 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' C ' ' N ' ' A' ' 78' ' ' SER . 18.3 Cg_endo -74.98 144.65 30.58 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.434 1.755 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.23 -27.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -64.67 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.948 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -52.78 -39.2 62.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.8 -63.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -44.43 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.93 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' SER . 39.4 p -64.23 -96.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.0 117.7 1.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.17 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -56.57 -23.21 42.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 83' ' ' LYS . 31.3 mt -92.77 -33.58 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -57.52 -74.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.41 -50.69 51.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -42.81 -57.96 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.589 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -59.28 -46.64 87.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.7 mt -48.67 -47.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.75 -14.39 62.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.1 mt -91.29 -10.52 41.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.718 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.12 -44.36 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -82.32 -28.96 31.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 56.99 42.12 26.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 97' ' ' VAL . 9.7 p -162.6 110.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.637 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.37 163.1 15.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -74.96 151.71 40.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -21.81 3.49 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.73 -9.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CE3' HG11 ' A' ' 98' ' ' VAL . 13.0 m0 -103.44 -52.45 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.62 71.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.415 ' SD ' ' CB ' ' A' ' 107' ' ' SER . 3.7 mmt -49.28 179.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 -52.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -41.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.415 ' CB ' ' SD ' ' A' ' 104' ' ' MET . 3.3 t -60.37 -21.33 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -27.07 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.95 -21.55 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -49.85 -74.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -44.37 137.19 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.97 88.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 -105.8 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.51 35.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.4 p -88.05 -59.37 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.6 m -130.66 135.31 47.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -59.54 114.63 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.95 103.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.9 -140.18 3.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.644 1.215 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -145.08 159.9 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -170.81 102.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.36 175.78 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.511 1.132 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -130.83 92.9 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -138.82 117.8 12.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.34 144.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 12.0 pt-20 -90.67 -50.98 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 15' ' ' LYS . 60.3 mt -71.49 -54.06 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -43.55 143.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.601 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 58.36 18.01 34.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -135.59 151.03 49.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 54' ' ' PHE . 97.2 t -74.19 142.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' PRO . 6.1 m -142.18 162.34 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CE3' ' A' ' 28' ' ' TRP . 8.2 p -98.88 122.63 42.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 67' ' ' ILE . 92.3 t -100.36 120.65 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 66' ' ' ASP . 28.8 t -75.75 119.78 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.479 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 1.4 m -54.65 125.3 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.087 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.73 73.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 m -90.72 -9.7 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' CB ' ' HB2' ' A' ' 21' ' ' SER . 0.1 OUTLIER -138.73 104.1 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.254 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -65.04 -13.91 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 27' ' ' GLU . 1.2 m -96.1 -78.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' HG22 ' A' ' 26' ' ' THR . 2.6 mm-40 -38.49 134.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 70' ' ' VAL . 39.1 p-90 -143.66 144.26 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.866 ' CE1' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -124.39 146.44 52.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.03 143.87 29.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.866 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -155.92 140.71 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD11 ' C ' ' A' ' 14' ' ' GLY . 15.8 tp -92.56 114.29 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 71.8 t -65.03 145.52 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.6 pt -154.82 -173.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.4 t -126.11 132.94 24.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 81.96 2.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.18 -49.68 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.65 -54.44 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -64.14 152.64 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 -58.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -44.11 -52.69 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 42' ' ' ILE . 36.4 mm -71.17 60.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -57.78 144.97 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 49' ' ' CYS . 74.7 t -112.61 129.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -83.37 -33.73 25.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.92 24.03 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -131.93 162.29 31.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' HA ' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -149.79 149.23 30.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.3 tp -85.06 123.11 30.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.2 m -121.6 155.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG2' ' CH2' ' A' ' 102' ' ' TRP . 4.3 ttt180 -112.56 106.96 15.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 153.77 29.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.095 ' CE2' HG22 ' A' ' 16' ' ' VAL . 53.5 m-85 -109.67 13.98 23.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' CG1' ' HA3' ' A' ' 85' ' ' GLY . 95.9 mt -97.89 -64.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -106.26 -11.9 15.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.1 m 69.6 51.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -110.59 160.22 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CZ ' ' CZ ' ' A' ' 52' ' ' ARG . 49.0 m-85 -95.66 108.25 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -115.57 152.77 32.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.815 ' C ' HD13 ' A' ' 62' ' ' ILE . 8.5 t -117.12 108.27 15.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.815 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -116.02 178.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -100.11 134.54 42.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -18.78 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 13.8 ptpt -78.7 -15.2 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -96.12 -18.23 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.373 1.045 . . . . 0.0 109.218 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 19' ' ' VAL . 19.5 mt -90.18 148.0 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' CE ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -153.94 144.14 22.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.6 146.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 28' ' ' TRP . 2.1 p -145.3 147.84 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -117.57 81.5 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.718 HD12 HD22 ' A' ' 86' ' ' LEU . 4.9 mm -70.18 -43.09 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 73' ' ' LEU . 5.0 mt -69.11 -6.89 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 71' ' ' ASP . 0.5 OUTLIER -108.62 12.35 25.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 86' ' ' LEU . 28.9 mt -94.28 158.22 36.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.07 34.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -27.06 22.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -57.67 -45.92 84.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 5.6 mt-10 -69.02 -47.36 65.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.676 HD22 ' OG ' ' A' ' 90' ' ' SER . 40.8 mt -59.27 -51.87 68.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 t -54.01 -44.2 70.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.792 HG23 ' O ' ' A' ' 78' ' ' SER . 72.7 p -83.51 -85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.97 112.56 0.93 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -28.94 8.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' HA3' ' CG1' ' A' ' 55' ' ' ILE . . . -68.88 -41.83 80.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 72' ' ' ILE . 87.1 mt -66.17 -52.73 45.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.17 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -43.96 -50.12 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.831 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -51.45 -50.45 59.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.676 ' OG ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.97 -47.54 85.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 95' ' ' THR . 9.9 mt -48.63 -46.49 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 96' ' ' ARG . 64.7 t80 -68.88 -12.63 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.4 mt -93.52 -11.42 31.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.14 -52.57 2.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 97' ' ' VAL . 12.8 p -79.46 -9.76 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 95' ' ' THR . 4.8 mmm-85 37.48 52.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' THR . 14.2 p -169.61 111.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.667 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -62.31 162.89 16.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 102' ' ' TRP . 18.3 Cg_endo -75.11 152.05 39.78 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.501 1.79 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -45.26 -35.59 3.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -50.57 -43.33 56.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.667 ' CE3' HG11 ' A' ' 98' ' ' VAL . 11.3 m95 -65.07 -61.45 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.9 tttt 63.5 78.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.8 mmt -83.32 159.69 21.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -168.9 38.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -88.85 -20.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -33.84 76.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -84.09 -29.43 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.94 -18.72 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.42 -65.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.05 90.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.9 p -125.1 124.4 41.8 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.84 157.23 0.38 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 126.87 10.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 159.03 25.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.2 m -120.78 167.65 12.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.2 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -144.92 171.33 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.64 157.19 4.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -150.99 -58.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -146.93 -62.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.05 152.78 12.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.572 1.17 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 mt 54.8 77.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.56 168.83 8.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 13' ' ' LEU . 3.1 m-20 -152.98 129.61 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 14.6 pt-20 -87.45 -48.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.217 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' GLU . 17.0 mt -77.96 -50.57 11.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -53.17 142.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.634 ' C ' HD11 ' A' ' 32' ' ' LEU . . . 64.26 12.11 49.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.713 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.1 tttt -132.89 152.77 51.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 54' ' ' PHE . 55.8 t -73.0 147.15 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 31' ' ' ALA . 14.4 m -145.28 166.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 66.8 p -104.61 128.93 52.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.681 HG11 ' HE1' ' A' ' 29' ' ' TYR . 6.8 t -100.91 125.29 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 66' ' ' ASP . 16.2 t -90.69 128.07 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -73.8 136.58 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.93 -18.43 59.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.8 m -92.93 -23.06 18.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.402 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.81 90.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -44.46 -36.09 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -68.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.27 127.92 18.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CH2' HG21 ' A' ' 70' ' ' VAL . 37.7 p-90 -143.75 145.48 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.806 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -129.93 147.66 66.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 111.028 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.876 ' HD2' HD11 ' A' ' 55' ' ' ILE . 18.3 Cg_endo -74.94 149.54 37.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -165.03 135.47 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 15' ' ' LYS . 51.0 tp -91.35 118.55 30.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 75.0 t -58.63 146.12 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 33' ' ' VAL . 1.2 pt -154.58 -171.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -128.32 146.71 60.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -54.94 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.74 -60.3 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -47.32 144.98 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 -55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' THR . 37.9 m-20 -43.41 -55.38 4.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 42' ' ' ILE . 4.3 mt -70.33 61.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 41' ' ' ASP . 3.2 m -56.02 142.35 36.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.6 t -103.13 155.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -109.38 -156.45 0.59 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -94.69 -24.47 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.79 20.65 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -139.79 155.2 47.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.42 154.25 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.542 HD11 ' HB3' ' A' ' 59' ' ' PHE . 25.3 tp -86.01 149.25 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.48 ' CG2' ' HB1' ' A' ' 31' ' ' ALA . 4.8 m -146.8 163.79 8.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 102' ' ' TRP . 3.8 tpp180 -116.25 108.64 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -65.84 153.21 42.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 16' ' ' VAL . 51.0 m-85 -111.8 6.26 19.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.613 1.196 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.876 HD11 ' HD2' ' A' ' 30' ' ' PRO . 5.0 mp -94.17 -64.61 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -99.18 -9.12 24.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.393 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.9 p 64.95 43.6 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -115.05 173.2 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 50' ' ' LEU . 89.1 m-85 -96.32 147.46 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.795 ' HB3' HD11 ' A' ' 62' ' ' ILE . 71.0 m-85 -148.39 148.63 30.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.805 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -117.56 101.83 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.805 HD13 ' C ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -113.86 178.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB3' ' OD2' ' A' ' 66' ' ' ASP . . . -97.79 134.07 41.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -23.54 6.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.361 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -23.58 61.89 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.1 m-20 -87.34 -22.81 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 19' ' ' VAL . 13.9 mt -86.54 141.29 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.0 141.56 17.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.234 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -37.99 148.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' CH2' ' A' ' 28' ' ' TRP . 7.2 p -144.94 148.32 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 74' ' ' ASN . 2.7 m-20 -109.09 85.2 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 ' OG ' ' A' ' 90' ' ' SER . 4.3 mm -77.51 -46.68 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.662 HD21 ' HG2' ' A' ' 94' ' ' LYS . 8.1 mt -64.9 -10.17 26.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 51.3 t30 -100.98 12.09 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 86' ' ' LEU . 59.5 mt -92.17 153.63 43.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -25.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -61.84 -52.46 64.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.944 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.569 ' OE2' HD22 ' A' ' 75' ' ' LEU . 3.4 mt-10 -60.26 -51.14 70.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -53.46 -55.81 22.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 t -50.16 -51.73 41.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 78' ' ' SER . 70.9 p -74.31 -84.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -40.3 124.38 1.74 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.766 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.19 -51.61 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 75' ' ' LEU . 74.0 mt -50.5 -49.25 56.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -50.2 -57.56 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.21 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB1' HG11 ' A' ' 16' ' ' VAL . . . -39.57 -56.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.045 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 95' ' ' THR . 9.6 mt -49.12 -43.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' CD1' HG13 ' A' ' 98' ' ' VAL . 73.5 t80 -70.31 -14.27 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.3 mt -91.98 -10.64 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.662 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -115.51 -50.57 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' VAL . 33.2 p -79.48 -12.17 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' THR . 1.9 mmm-85 37.28 51.12 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 97' ' ' VAL . 9.6 p -168.86 106.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.723 HG11 ' CE3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -62.23 163.08 15.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.39 42.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.459 1.768 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.16 -35.03 10.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -52.25 -25.46 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.786 ' CH2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 m0 -92.64 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.14 67.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.455 ' HG2' HG21 ' A' ' 98' ' ' VAL . 3.3 mmt -48.71 176.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.81 -43.56 2.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.34 -32.85 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -60.16 -16.49 33.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -95.59 -17.22 21.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.7 mt -83.93 -28.35 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 mt -47.01 -67.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 66.25 132.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -104.13 86.26 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.986 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -156.43 155.34 26.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.88 21.65 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.819 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.9 t -82.21 -53.3 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 m -73.69 156.36 38.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 110.023 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 stop_ save_