data_1uhc_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 1uhc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -98.89 147.18 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 25.9 p90 -128.97 154.45 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.5 140.66 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 t -72.34 -49.31 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.59 171.62 12.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.0 m -71.92 109.15 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -103.23 159.22 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.1 144.9 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 130.65 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.32 -23.69 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 164.33 16.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.51 18.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -79.39 -24.81 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CD ' ' CH2' ' A' ' 52' ' ' TRP . 52.6 mt-10 -94.21 160.47 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.98 145.84 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.2 p -92.36 132.02 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.06 160.93 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.26 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.93 130.48 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 74.96 9.81 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -78.17 127.95 33.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -75.08 145.19 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -153.08 134.29 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.77 109.3 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.523 HG23 ' CE2' ' A' ' 43' ' ' PHE . 5.4 mm -69.16 103.52 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' LEU . 16.0 mt -70.33 -54.46 12.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CE2' HG23 ' A' ' 40' ' ' ILE . 18.2 m-85 -123.4 27.17 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 153.52 29.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.615 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.56 -168.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 26.7 m -69.32 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -96.9 40.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 42.04 42.48 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.45 111.5 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p -76.88 -9.16 58.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.91 -32.83 74.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.452 ' CH2' ' CD ' ' A' ' 29' ' ' GLU . 95.4 m95 -103.99 128.03 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 24.4 m0 -113.51 144.29 43.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 108.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 tp -91.98 123.25 35.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.88 151.06 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.3 tt0 -126.32 117.35 22.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.7 t -93.44 -84.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.54 55.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.73 -31.17 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -73.19 106.82 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 8.6 mttt -99.87 137.05 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.93 148.07 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.615 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 3.5 m-85 -69.07 129.19 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -118.51 161.66 34.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 142.72 28.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 96.0 p -81.5 -4.35 55.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -21.9 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -103.2 35.45 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.409 ' CG1' ' HA ' ' A' ' 66' ' ' SER . 6.5 mm -113.35 154.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -149.9 154.16 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ARG . 6.7 m-85 -120.19 149.71 41.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 42.6 p90 -130.44 158.54 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 124.97 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 70' ' ' ARG . 5.5 t -66.29 -49.47 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -122.14 156.5 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 25.9 m -68.49 112.59 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -102.35 157.67 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -127.46 140.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.95 134.34 39.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -112.3 164.03 16.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.06 17.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.1 -21.83 18.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 52' ' ' TRP . 27.3 mt-10 -96.54 141.74 29.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -107.55 135.97 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.4 p -84.08 127.67 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.84 143.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -87.39 176.38 7.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.53 140.3 41.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.55 20.79 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -88.2 125.43 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.56 142.0 53.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.38 140.11 21.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 106.91 18.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -69.57 98.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 95.0 mt -66.36 -70.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.05 156.69 28.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 92.0 m-85 -102.21 12.53 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.09 140.34 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 1.2 p30 -65.96 174.03 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.0 -54.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 p -48.6 -34.23 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.36 81.76 1.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 48.6 t30 -165.31 131.22 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.8 p -82.3 50.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.45 -27.35 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 29' ' ' GLU . 92.1 m95 -131.76 114.19 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.53 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 37.0 m0 -90.39 143.65 26.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.96 104.12 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.6 144.4 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 28.1 tt0 -122.23 93.92 4.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.0 84.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.23 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.16 16.96 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 11.3 mttm -112.29 120.22 41.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -105.19 149.87 25.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . 178.13 149.84 8.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -80.64 122.22 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -121.68 163.25 32.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.06 144.09 29.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.438 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 95.1 p -82.51 -1.8 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -21.17 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -100.8 26.24 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.4 mm -108.4 157.98 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -147.09 161.0 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 10.9 m-85 -126.64 150.16 49.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 51.7 p90 -131.2 154.5 48.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 126.42 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 7.3 t -69.77 -42.42 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.71 164.27 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -72.01 127.26 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -122.46 163.81 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.79 149.43 37.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.35 142.41 30.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 10.85 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.498 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -141.24 164.89 32.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 1.55 7.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -127.44 39.59 3.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' CD ' ' ND2' ' A' ' 26' ' ' ASN . 50.1 mt-10 -152.5 138.2 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -110.43 143.73 40.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 p -91.16 140.18 30.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 m -146.19 152.86 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 m -98.16 179.97 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.25 147.44 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 55.51 27.13 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -96.34 123.78 40.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.74 149.71 48.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -158.7 125.46 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 106.0 9.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 38' ' ' LEU . 9.3 mm -67.9 98.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.73 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -115.91 -173.58 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -131.82 10.38 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.72 142.64 17.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -65.94 -169.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.6 m -79.66 -27.21 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.3 t -86.59 8.94 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.2 40.2 34.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.34 111.03 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -78.56 -15.03 59.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -65.69 -19.81 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -117.97 135.09 54.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.024 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -115.76 148.04 40.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.022 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.18 114.39 26.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.71 154.64 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -126.63 105.41 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.25 104.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.9 m-20 63.42 71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 37.35 50.79 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.112 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -90.59 146.5 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -171.23 150.36 13.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE2' ' OD2' ' A' ' 45' ' ' ASP . 10.7 m-85 -83.18 118.77 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.88 163.02 22.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 142.2 27.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.436 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 97.7 p -79.89 -5.95 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.54 -19.15 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -103.36 30.09 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -113.27 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -147.46 159.16 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 15.2 m-85 -119.58 156.22 30.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 33.2 p90 -141.83 145.31 34.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -54.18 118.07 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.539 HG12 ' CE2' ' A' ' 20' ' ' TYR . 42.9 t -55.6 -45.71 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.539 ' CE2' HG12 ' A' ' 19' ' ' VAL . 37.9 m-85 -134.24 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -67.97 115.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -111.42 162.37 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 143.63 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.79 116.24 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -15.81 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.96 164.25 20.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.25 14.38 19.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.539 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 32.4 mt-10 -114.34 157.89 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD23 ' CG2' ' A' ' 57' ' ' VAL . 1.9 tp -123.04 137.24 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.6 p -86.47 127.38 34.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.8 148.99 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -88.45 177.47 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.68 148.92 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.9 m-80 51.81 30.73 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -99.76 120.17 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 149.02 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.04 147.88 28.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 110.29 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.73 110.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.44 -64.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.0 166.22 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -113.98 20.96 15.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 -168.37 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -136.05 170.85 15.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.15 -37.57 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 p -68.65 -31.48 70.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 96.61 57.7 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 50.1 t-20 -139.06 132.72 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -82.94 50.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.38 -36.59 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ3' ' OE2' ' A' ' 29' ' ' GLU . 97.7 m95 -111.48 106.93 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -87.49 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.3 tp -98.38 102.34 14.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.71 140.03 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 118.53 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.453 ' CG2' HD23 ' A' ' 30' ' ' LEU . 70.9 t -92.65 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.419 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 20.1 m120 -91.7 52.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.76 -32.51 4.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.14 119.14 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -104.31 137.12 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -162.01 149.71 18.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -72.9 128.77 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -124.27 160.38 52.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.1 p -79.1 -6.27 56.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -21.7 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.04 39.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mm -125.02 120.68 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -127.39 151.11 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -111.64 151.54 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 20.1 p90 -133.38 157.05 46.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 32' ' ' VAL . . . -64.07 136.25 57.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 14.2 t -68.28 -51.49 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -122.98 175.43 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -75.07 102.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -97.53 151.38 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.6 ttpm? -127.76 142.87 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 128.93 35.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -108.79 -20.69 12.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -122.28 167.26 14.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.42 13.21 20.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.36 167.59 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tp -126.1 137.1 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.0 p -96.19 118.99 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 18' ' ' ALA . 14.5 m -139.72 142.26 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -82.83 -176.13 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 146.99 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 50.35 27.73 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -86.6 127.97 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -69.01 143.17 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.95 148.09 27.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.48 106.83 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.86 114.16 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.45 -65.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.96 142.75 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 97.3 m-85 -87.75 39.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -158.48 176.28 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -97.95 -88.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 47' ' ' THR . 3.0 m -80.07 52.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 14.6 t 49.34 35.82 8.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.78 -97.75 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -40.29 128.57 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.1 p -97.31 49.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.66 -39.94 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -111.96 144.39 41.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 107.962 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 49.9 m0 -112.42 135.37 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -83.99 108.28 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.22 139.57 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 42.5 tt0 -123.61 96.57 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.19 135.79 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.3 29.58 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.96 23.67 66.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -121.22 111.13 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 4.9 mtmm -88.28 155.92 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.86 156.58 13.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 21.9 m-85 -87.1 115.37 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -105.99 155.71 37.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.411 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 90.0 p -71.98 -16.51 62.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.25 -21.07 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 17.7 m-85 -102.53 38.63 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 7.3 mm -118.45 154.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.587 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -147.44 154.66 41.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 13.0 m-85 -130.7 147.29 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.5 p90 -128.03 156.66 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 127.8 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' CG2' ' HG2' ' A' ' 70' ' ' ARG . 6.1 t -72.91 -42.31 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -126.52 168.84 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -79.88 104.75 10.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 78.9 t80 -97.37 164.27 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 23.0 tttt -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 122.73 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -107.43 -25.39 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.414 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -110.15 164.25 15.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -119.36 22.85 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 68.7 mt-10 -126.35 145.49 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -111.0 140.32 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -90.12 132.38 35.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 16.4 m -133.96 167.34 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.32 172.17 7.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.37 130.32 36.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 4.8 m-20 83.57 -6.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' OE1' ' CB ' ' A' ' 32' ' ' VAL . 1.5 tt0 -67.81 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -72.68 151.83 42.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.27 141.46 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 106.1 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mm -66.17 90.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' LEU . 95.1 mt -56.94 -66.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -123.2 -178.89 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.0 m-85 -122.85 32.36 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.35 -169.96 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.574 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 7.2 p30 -147.08 -175.25 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -37.2 -75.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.437 HG22 ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -37.66 -46.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.33 -16.63 9.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 21.2 p30 -46.01 170.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.8 p -120.33 27.38 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 -9.46 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 75.7 m95 -128.47 139.41 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.7 m0 -116.59 143.89 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 36.7 tp -90.28 96.25 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -97.77 139.53 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.19 115.27 23.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 54.5 t -85.94 -102.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 19.8 m-20 -102.04 60.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.11 -30.81 5.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -68.11 110.42 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.14 136.84 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -165.08 154.67 25.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 10.7 m-85 -79.64 127.59 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.57 163.61 33.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.93 144.11 30.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.435 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.8 p -81.91 -2.47 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.87 -20.69 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 6.6 m-85 -99.95 23.71 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 2.7 mm -107.72 158.98 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -145.47 156.86 43.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.41 153.59 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 38.3 p90 -138.19 153.2 49.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 130.61 46.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 70' ' ' ARG . 14.8 t -70.21 -47.15 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.54 158.24 30.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 3.1 m -67.72 106.33 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' VAL . 88.3 t80 -108.13 154.83 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.24 49.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -75.25 171.88 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 1.3 mpp_? -166.59 -36.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.417 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -97.0 160.56 28.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.2 Cg_endo -75.03 42.51 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 18.5 m-80 -175.76 33.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.48 142.35 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -109.71 141.51 42.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 138.73 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' PHE . 11.9 m -146.38 133.82 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.85 -178.09 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.81 137.47 36.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 63.9 13.02 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -78.56 122.85 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -59.34 150.71 25.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.59 126.23 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HE2' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.46 112.59 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.9 mm -75.31 103.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -70.14 -64.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.06 152.67 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 83.4 m-85 -96.44 13.68 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 145.15 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLY . 3.5 p30 -83.83 171.18 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -48.61 -40.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -56.4 -25.85 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 101.55 -9.26 57.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.59 123.82 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.9 p -87.36 44.26 1.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -113.81 -39.01 4.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.08 127.52 47.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 107.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 45.1 m0 -104.38 134.03 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.73 107.75 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.412 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -108.92 144.54 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -124.64 108.96 12.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -117.62 110.92 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.2 m-20 58.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 36.84 56.51 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -154.25 106.36 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -86.2 150.5 24.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.27 152.61 17.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.49 123.73 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -122.84 162.85 36.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.247 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 143.63 29.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.4 p -79.23 -3.34 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -90.47 -22.17 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -101.7 34.51 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.1 mm -115.72 151.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -142.9 159.29 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -118.43 147.95 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 49.1 p90 -129.14 154.48 46.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -64.51 136.97 57.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 69' ' ' ILE . 3.4 t -85.02 -52.65 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.07 150.99 33.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -62.72 105.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD2' HG11 ' A' ' 64' ' ' VAL . 53.8 t80 -92.6 166.42 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -143.9 146.14 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 119.85 22.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -102.7 -24.54 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -120.13 164.11 24.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.09 9.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -117.21 26.47 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 25.0 mt-10 -133.76 153.82 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -114.99 141.98 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -89.59 135.05 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 35.6 m -137.65 168.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.2 m -112.91 178.72 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 144.88 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.2 m-20 57.92 26.35 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -94.28 124.47 38.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.24 148.92 49.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.98 130.9 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 107.87 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.547 HG23 ' CE1' ' A' ' 43' ' ' PHE . 7.3 mm -69.35 99.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.61 -69.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -119.55 179.22 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE1' HG23 ' A' ' 40' ' ' ILE . 91.4 m-85 -127.42 28.39 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -169.45 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 1.3 p30 -141.0 170.45 15.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 m -41.56 -55.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 p -52.73 -40.74 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 104.89 59.27 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 51' ' ' GLU . 41.2 t-20 -138.02 134.91 35.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 30.3 p -83.21 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.609 ' CD ' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -114.18 -25.54 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.609 ' CD1' ' CD ' ' A' ' 51' ' ' GLU . 97.3 m95 -123.0 109.14 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.443 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 38.3 m0 -87.85 143.68 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -93.72 104.48 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.63 142.8 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.81 115.85 25.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.43 ' CG2' HD23 ' A' ' 30' ' ' LEU . 76.5 t -91.35 -98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -89.53 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.82 -28.06 7.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -70.18 104.12 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -84.15 139.25 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -161.84 146.83 12.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -72.36 118.72 15.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.09 164.36 15.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.91 145.34 31.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.6 p -86.56 5.8 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.51 -28.82 13.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 18.0 m-30 -97.53 43.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 2.5 mm -120.77 154.58 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.98 156.82 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -104.79 152.43 22.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -134.46 156.47 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 20' ' ' TYR . . . -72.7 76.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.487 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 7.1 p -39.78 -30.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 63.1 m-85 -127.77 140.84 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.43 137.58 58.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 65' ' ' PRO . 24.4 t80 -135.72 151.94 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.75 141.83 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.96 92.37 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -77.29 -19.42 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -117.77 163.36 24.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.01 21.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.76 -16.94 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE1' ' CA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -86.18 148.13 25.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 1.9 tp -106.91 140.46 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 p -95.13 125.13 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.29 133.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -75.3 -176.95 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -76.3 155.94 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 18.3 p30 41.78 34.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -101.28 121.98 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 146.5 48.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD23 ' CB ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -153.39 148.9 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -91.14 115.81 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.66 88.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 71.3 mt -59.47 -65.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.23 179.62 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 56.6 m-85 -126.29 25.71 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -143.07 -165.88 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.77 173.57 11.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -42.83 -58.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 p -50.38 -41.54 52.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.29 32.93 2.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -103.34 135.88 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 p -85.11 47.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -116.67 -36.61 3.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' LYS . 95.5 m95 -107.75 125.53 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 41.9 m0 -102.26 154.28 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -96.45 98.61 10.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 141.33 28.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 25.2 tt0 -125.19 97.85 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 76.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 54.16 69.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.78 -50.31 2.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.1 mmtp -54.33 104.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.74 143.12 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.92 160.21 24.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -84.04 138.28 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -136.8 169.44 13.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -75.0 135.27 18.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.472 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 83.8 p -73.94 -4.63 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -88.07 -22.39 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 20' ' ' TYR . 3.0 m-85 -93.48 8.41 40.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -108.0 103.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -118.76 138.65 52.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 tttm . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -100.27 153.51 19.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 32.2 p90 -137.51 155.73 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.95 139.82 48.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 70' ' ' ARG . 1.8 t -83.63 -48.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -118.36 141.42 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -58.16 103.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 46.9 t80 -86.95 166.46 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -138.64 126.77 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.9 131.29 41.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.05 -22.87 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -121.48 164.5 24.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -98.29 -16.42 19.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' CD ' ' OD1' ' A' ' 26' ' ' ASN . 95.8 mt-10 -96.97 142.66 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.0 p -86.15 133.22 33.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.8 m -136.49 148.02 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -92.87 168.69 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.92 142.19 54.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 60.92 23.83 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 54.1 tp60 -86.08 157.29 20.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 7.3 tttt -99.66 133.07 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -140.47 154.82 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 13.0 tppt? -104.7 114.04 28.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.403 HG23 ' CE3' ' A' ' 53' ' ' TRP . 3.4 mm -77.36 92.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 88.4 mt -66.92 -60.99 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.07 157.63 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.38 29.11 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -173.66 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG2' ' A' ' 47' ' ' THR . 55.6 p30 -133.36 -169.19 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.25 -35.97 76.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.437 ' CG2' ' OD2' ' A' ' 45' ' ' ASP . 14.9 t -91.1 31.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.73 63.1 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 35.0 t-20 -130.5 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -59.9 -22.28 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -51.6 -29.09 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -113.3 127.95 56.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.403 ' CE3' HG23 ' A' ' 40' ' ' ILE . 28.9 m0 -111.43 143.24 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 tp -86.58 101.27 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . . . -94.37 150.26 20.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 32.7 tt0 -134.43 104.86 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.78 74.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 62.63 69.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.65 -50.62 4.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -55.53 109.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -111.25 159.13 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.3 163.37 24.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.088 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 126.65 36.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.524 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.59 167.0 13.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 139.97 24.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.449 1.763 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.2 p -80.94 1.25 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -92.83 -33.93 14.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 19.8 m-30 -93.78 41.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -116.92 163.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -162.31 154.58 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -138.38 147.29 43.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 9.2 p90 -131.26 149.56 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 130.32 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.408 HG13 ' CE2' ' A' ' 20' ' ' TYR . 32.2 t -61.83 -53.09 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CE2' HG13 ' A' ' 19' ' ' VAL . 39.9 m-85 -124.98 165.75 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.7 m -65.33 110.28 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -104.19 151.03 23.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -123.21 136.34 54.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 122.44 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.8 -22.3 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -106.51 165.93 12.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.83 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -83.43 -37.19 23.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.19 149.95 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.23 135.34 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -85.07 127.85 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -138.82 129.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -74.06 -176.51 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.21 138.35 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 58.82 23.43 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -88.0 119.38 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 150.19 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -155.14 148.96 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 109.08 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 38' ' ' LEU . 5.1 mm -73.97 108.92 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 61' ' ' LYS . 95.9 mt -75.2 -61.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.09 153.86 46.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.33 28.31 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -151.6 153.95 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.569 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 10.1 t0 -72.29 -155.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 12.0 m -78.17 -27.91 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 49' ' ' ASN . 11.7 t -98.33 44.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.85 28.12 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 47' ' ' THR . 45.6 t30 -89.84 127.43 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 p -82.49 50.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -118.93 -38.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -113.04 143.41 44.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -112.97 132.36 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.08 96.04 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -92.62 147.81 22.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.463 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 35.1 tt0 -138.52 94.35 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.82 148.65 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 60.59 20.86 10.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.62 80.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.166 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -112.96 108.36 17.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 25.1 mtpt -78.85 152.08 31.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . 178.54 163.12 29.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 39.5 m-85 -100.91 124.38 46.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.4 164.1 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.01 144.55 30.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.446 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.7 p -81.71 -1.37 46.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -91.07 -24.64 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -102.22 35.23 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 7.3 mm -111.16 152.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.73 154.19 42.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 tttp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 6.6 m-85 -105.97 156.93 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 30.7 p90 -135.21 155.51 50.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 137.03 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HB ' ' CD2' ' A' ' 20' ' ' TYR . 2.4 t -71.46 -48.28 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 6.8 m-85 -132.1 154.99 48.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.07 102.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 55.8 t80 -86.91 168.74 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -141.34 135.54 30.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.39 136.58 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -113.34 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 164.32 16.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.15 9.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -105.55 -23.38 12.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 79.4 mt-10 -87.43 141.13 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -107.54 140.9 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.9 p -84.49 136.73 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.62 146.68 31.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -85.95 171.63 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.05 141.21 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 63.53 14.3 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 30.3 tp60 -81.27 155.99 25.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 8.3 mtpm? -98.35 135.19 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.611 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -136.2 133.54 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE2' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.1 112.01 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mm -72.1 111.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 61' ' ' LYS . 16.3 mt -83.21 -58.4 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -134.86 143.47 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.03 27.01 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 148.48 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 8.3 p30 -102.36 173.03 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -45.89 -48.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.5 p -51.53 -33.01 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.15 66.7 1.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 33.4 t30 -128.32 8.74 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ASN . 11.5 p 37.78 34.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -113.26 -31.72 6.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 98.4 m95 -105.6 107.85 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -90.0 130.29 36.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.8 101.61 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -107.24 142.81 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -123.27 117.96 26.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 73.2 t -103.47 -103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.469 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -73.26 80.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 36.81 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 1.7 mttm -135.91 130.05 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 7.8 mttp -99.68 148.01 24.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -166.25 147.86 12.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -78.87 109.58 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -103.59 162.37 20.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -81.33 -3.03 51.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -21.09 22.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -103.07 35.65 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -117.69 146.93 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . 1.6 mmp_? -138.46 154.33 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.25 150.24 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 7.0 p90 -137.5 159.17 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.4 126.32 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 17.3 t -55.43 -57.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -115.71 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 20.6 m -85.07 108.56 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 79.2 t80 -103.58 162.34 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.9 tptt -140.85 151.48 44.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.42 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.01 -25.53 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.262 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -117.49 161.34 34.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.5 Cg_endo -74.92 55.3 3.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 24.3 m-80 -166.42 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.52 147.69 44.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.5 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -105.79 136.84 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 137.09 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG1' HD23 ' A' ' 30' ' ' LEU . 35.8 m -147.29 129.35 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 m -75.1 -173.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.85 139.28 37.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 60.99 20.67 11.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -83.31 114.09 21.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.27 144.65 19.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 0.3 OUTLIER -154.01 134.3 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -88.08 110.81 20.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.409 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 5.1 mm -70.36 107.91 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 18.3 mt -75.47 -68.95 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.53 167.94 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 94.2 m-85 -112.76 31.34 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 -170.61 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.432 ' OD2' ' CG2' ' A' ' 47' ' ' THR . 51.9 p30 -132.18 -170.01 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.1 -36.51 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.432 ' CG2' ' OD2' ' A' ' 45' ' ' ASP . 12.5 t -90.39 32.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.48 61.69 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.5 t-20 -125.76 127.94 46.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.8 p -89.8 39.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.91 -22.95 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.501 ' CE3' ' C ' ' A' ' 64' ' ' VAL . 56.5 m95 -133.52 114.75 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 50.4 m0 -86.82 173.5 9.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.9 tp -113.97 104.88 12.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -105.87 140.8 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 34.1 tt0 -118.49 97.79 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 30' ' ' LEU . 32.8 m -115.57 135.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 57.28 55.36 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.96 35.03 1.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -129.61 122.39 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -96.39 139.15 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.1 138.59 4.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -69.91 116.02 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.501 ' C ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -101.48 156.84 34.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.562 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 98.5 p -53.65 -19.78 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.93 -17.8 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -112.02 41.2 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 30.8 mm -113.49 162.69 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -165.82 156.95 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG11 ' CE ' ' A' ' 37' ' ' LYS . 18.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 7.0 m-85 -115.1 156.27 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 33.3 p90 -136.23 146.28 46.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.58 123.77 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 20' ' ' TYR . 12.9 t -68.8 -23.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 19' ' ' VAL . 56.1 m-85 -153.13 153.58 33.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.14 120.2 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 54.3 t80 -120.11 163.05 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 53.6 tttm -134.24 146.06 49.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.64 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -101.14 -29.86 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -113.25 164.3 16.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -103.45 -20.5 14.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.7 mt-10 -81.76 171.95 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 1.8 tp -136.49 141.94 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.9 p -85.56 132.11 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.76 124.0 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -70.41 178.27 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.75 144.35 33.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 61.89 13.75 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 38' ' ' LEU . 34.4 tp60 -78.62 152.64 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 3.6 mtpt -98.71 135.93 39.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.92 145.75 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 105.88 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.3 mm -66.87 107.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -83.05 -58.37 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.9 160.58 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 40' ' ' ILE . 56.2 m-85 -109.76 31.41 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 170.3 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -108.63 -176.1 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.496 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 8.9 m -62.49 -20.54 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -99.61 33.73 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.76 45.76 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -113.51 122.38 47.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -82.67 50.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.96 -35.6 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 83.9 m95 -109.69 131.3 55.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.8 94.39 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . . . -95.8 149.44 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 10.2 tt0 -128.54 119.36 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 58.8 t -93.19 -98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 24.2 m-20 -103.51 55.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.08 -33.21 4.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -67.02 108.98 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 14.3 mttp -102.18 137.98 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -164.85 154.51 25.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' HH ' ' N ' ' A' ' 46' ' ' VAL . 6.7 m-85 -76.74 121.19 22.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.16 163.95 18.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.518 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 143.99 29.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.462 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 91.9 p -82.45 -13.74 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -80.96 -17.23 51.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -105.0 30.4 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.498 ' C ' ' CG2' ' A' ' 19' ' ' VAL . 3.7 mm -115.69 136.63 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.603 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 4.2 tpt180 -122.58 153.64 39.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tttp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.54 148.75 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 45.7 p90 -130.36 153.15 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -66.87 132.83 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 70' ' ' ARG . 15.7 t -72.73 -48.3 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.47 148.2 44.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.6 m -58.8 101.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 76.9 t80 -93.42 171.27 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -149.78 147.51 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -76.78 173.31 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.518 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -165.4 -36.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -98.06 165.25 15.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.449 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.3 Cg_endo -75.04 55.23 3.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 15.4 m-80 -174.39 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -62.14 144.59 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -116.5 145.22 43.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -86.79 129.19 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 16.1 m -135.66 149.14 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -88.73 174.95 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -77.55 140.81 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.7 m-20 58.74 24.2 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -93.49 122.93 36.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -65.79 144.55 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.19 107.66 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.525 HG23 ' CE1' ' A' ' 43' ' ' PHE . 5.4 mm -66.39 120.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' CB ' ' CD1' ' A' ' 54' ' ' LEU . 25.8 mt -91.42 -28.56 17.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 20.3 mt-10 -162.51 171.23 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 50.8 m-85 -117.75 14.64 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.7 130.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -63.52 172.14 2.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' GLY . 9.3 m -47.23 -52.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.472 ' CG2' ' CG ' ' A' ' 45' ' ' ASP . 1.5 t -41.69 -27.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' VAL . . . 105.25 -23.14 31.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 37.0 t-20 -53.3 135.97 37.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.8 p -96.02 41.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.06 -27.96 11.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.28 141.59 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 26.8 m0 -114.08 140.69 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.565 ' CD1' ' CB ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -81.04 123.92 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -130.02 135.35 48.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -125.33 108.69 11.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 83.4 t -88.27 -106.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' LYS . 72.1 m-20 -79.16 87.29 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.24 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' ASN . 4.2 mttm -127.71 107.6 10.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -78.97 150.58 31.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -174.54 153.44 16.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.4 m-85 -94.03 135.3 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -123.65 165.86 21.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.7 p -81.81 5.86 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 -24.17 14.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.07 28.82 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 4.4 mm -107.04 158.97 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -149.0 160.28 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.8 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG1' ' HE2' ' A' ' 37' ' ' LYS . 57.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.79 148.54 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 39.0 p90 -128.34 149.54 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.98 130.93 47.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.3 t -64.68 -44.76 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -133.14 164.13 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -65.98 106.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 67.8 t80 -100.08 150.58 22.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 144.43 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -73.78 171.83 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -164.42 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -99.7 164.85 15.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 5.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -131.77 34.93 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 26' ' ' ASN . 2.9 mt-10 -131.53 159.5 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 57' ' ' VAL . 1.4 tp -126.36 148.78 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -97.25 122.34 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG11 ' CG2' ' A' ' 57' ' ' VAL . 19.0 m -129.18 174.55 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.44 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.11 136.48 37.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.65 17.26 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -86.72 119.06 26.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 15' ' ' VAL . 2.2 ttmt -60.51 149.54 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.2 133.32 14.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 108.45 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.564 HG23 ' CE1' ' A' ' 43' ' ' PHE . 5.2 mm -66.38 118.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' CB ' ' CD1' ' A' ' 54' ' ' LEU . 20.3 mt -89.65 -30.67 17.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 24.5 mt-10 -161.92 171.46 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 40' ' ' ILE . 62.1 m-85 -117.8 11.05 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 134.01 9.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.82 173.95 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.58 -57.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -38.02 -35.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.57 -8.46 30.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.35 139.91 58.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -101.44 36.11 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.64 -24.32 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -118.27 144.59 45.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.556 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 28.1 m0 -116.64 146.18 42.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.559 ' CD1' ' CB ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -86.39 126.54 34.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . . . -130.89 142.41 50.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.4 tt0 -127.47 103.27 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 30' ' ' LEU . 86.1 t -77.7 -106.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.2 t-20 -83.82 50.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -26.37 7.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.78 105.27 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 mtmt -84.42 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.98 156.88 22.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.1 m-85 -90.49 135.36 33.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.24 166.44 15.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 143.45 29.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -77.63 -1.07 29.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.17 -20.7 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 7.7 m-85 -103.16 35.75 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.17 155.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -147.55 149.88 33.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.06 150.45 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 41.0 p90 -136.45 152.2 50.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . . . -64.94 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.509 ' HB ' ' CD1' ' A' ' 20' ' ' TYR . 5.5 t -79.35 -39.5 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.509 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 41.6 m-85 -129.63 172.17 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 97.7 m -83.69 94.55 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 88.8 t80 -91.13 169.13 11.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 1.5 ttmt -149.98 143.04 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.31 129.91 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -111.24 -19.19 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.35 164.1 23.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -166.14 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.78 177.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -131.59 152.96 50.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.4 p -103.86 103.99 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 30' ' ' LEU . 33.3 m -130.65 125.59 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 m -75.54 -178.36 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.88 141.36 40.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 58.33 24.35 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -93.41 123.11 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -59.3 150.08 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -158.15 125.99 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HE2' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.99 111.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.432 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 5.4 mm -70.07 108.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 27.9 mt -78.99 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -120.8 -176.46 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 85.5 m-85 -131.72 38.28 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 154.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 17.3 p-10 -108.54 -174.91 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.8 m -48.32 -47.92 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.0 p -51.5 -21.68 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 -26.7 15.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 48.3 t-20 -53.61 139.73 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 p -91.9 39.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . 2.7 mt-10 -107.85 -19.2 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -111.37 106.32 15.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.3 m0 -91.66 142.4 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 tp -91.16 101.36 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.429 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -104.36 148.32 26.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -112.83 117.51 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.7 136.86 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 52.6 35.81 19.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.65 7.45 47.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -104.62 127.2 52.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 0.733 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -109.46 128.1 54.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.563 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -150.76 161.88 29.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 7.8 m-85 -82.31 108.23 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -102.99 160.49 26.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.99 146.1 32.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 87.7 p -80.51 -10.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.72 -21.27 34.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -102.44 35.57 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG1' ' HA ' ' A' ' 66' ' ' SER . 5.3 mm -115.94 152.9 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -150.02 154.33 38.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 71' ' ' LYS . 10.8 m-85 -120.12 153.14 36.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 48.5 p90 -133.79 158.51 43.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -71.91 121.83 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 4.5 t -63.91 -29.57 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.413 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 42.3 m-85 -141.99 160.26 40.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.3 m -68.3 113.96 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' NE ' ' A' ' 25' ' ' ARG . 78.2 t80 -111.24 128.07 55.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.9 mmtt -114.84 109.45 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' LYS . . . -27.52 138.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -117.31 -14.14 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -132.85 161.99 60.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.43 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.803 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -167.08 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.59 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.6 mt-10 -65.28 150.58 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD1' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -107.1 138.93 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 24' ' ' ALA . 18.9 m -85.95 119.43 26.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.479 ' CG1' HD21 ' A' ' 30' ' ' LEU . 15.6 m -119.54 116.37 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.06 174.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.92 127.73 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 9.5 m-20 82.98 -2.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' HD12 ' A' ' 38' ' ' LEU . 7.8 tp60 -63.52 150.04 44.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 3.7 mtpm? -98.06 134.35 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.55 137.76 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -93.32 108.24 19.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 3.9 mm -64.03 113.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 26.6 mt -87.87 -62.52 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.28 156.5 38.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -106.06 32.26 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.36 -164.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -147.38 174.53 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -41.8 -60.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' ' OD1' ' A' ' 45' ' ' ASP . 62.8 p -49.93 -34.99 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 102.39 30.19 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -102.59 135.76 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p -86.26 45.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -111.45 -30.53 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 89.1 m95 -111.52 128.5 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -105.45 139.32 40.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.0 tp -87.67 101.07 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.08 132.99 49.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 31.6 tt0 -108.15 109.04 20.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.522 HG22 ' CD1' ' A' ' 30' ' ' LEU . 7.1 m -130.76 134.31 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 61.16 44.24 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.8 34.85 22.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -131.58 122.28 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -95.5 132.38 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.66 140.44 6.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -68.41 142.48 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -138.91 163.24 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.49 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 144.6 30.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.452 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 86.5 p -84.12 -1.22 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.85 -19.5 21.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 6.3 m-85 -103.22 25.29 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.9 mm -107.2 164.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.488 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -156.46 160.2 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.325 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 7.0 ttpt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -102.35 146.43 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 31.5 p90 -128.3 150.37 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -62.2 143.84 56.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 69' ' ' ILE . 2.6 t -92.18 -49.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -116.45 135.55 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -49.48 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -87.73 163.28 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 135.02 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.48 108.34 19.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -90.05 -28.16 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.51 163.24 18.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.21 21.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -90.56 -22.65 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 81.9 mt-10 -87.46 143.1 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -103.89 129.88 51.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -80.99 138.65 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 HG13 ' CD2' ' A' ' 38' ' ' LEU . 33.5 m -148.85 146.68 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.79 179.13 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.7 132.57 37.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' ALA . 40.7 m-20 68.88 16.04 8.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -86.15 113.98 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -60.32 138.93 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' CD2' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.97 141.68 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -82.3 122.84 28.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 43' ' ' PHE . 14.1 mm -93.12 115.67 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 56' ' ' GLU . 1.9 mp -87.24 -58.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -119.01 -177.83 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.587 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.1 m-85 -132.99 14.34 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 149.61 19.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.629 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -72.42 -169.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -39.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.0 p -59.04 -26.84 64.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.44 -26.61 9.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -50.1 129.83 21.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 p -89.19 37.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.12 -36.57 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 85.1 m95 -105.06 134.55 47.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 23.0 m0 -114.15 141.18 47.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -86.09 126.32 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -131.09 152.53 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' HD11 ' A' ' 41' ' ' LEU . 33.7 tt0 -135.57 87.59 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.2 p -122.07 123.76 69.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.1 t-20 83.35 26.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.58 68.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 2.6 mttp -128.31 116.84 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.47 156.68 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.34 149.84 6.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 4.5 m-85 -76.03 135.09 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -119.83 161.44 38.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.06 139.29 23.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.9 p -81.44 5.0 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -99.02 -24.66 14.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 14.4 m-30 -104.59 47.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 2.9 mm -122.78 152.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -147.69 154.68 40.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 26.7 m-85 -120.89 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 43.3 p90 -133.75 156.27 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.42 131.09 44.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' CG2' ' HG2' ' A' ' 70' ' ' ARG . 12.5 t -67.53 -43.36 87.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 32.3 m-85 -127.45 172.48 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.81 101.56 6.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 65' ' ' PRO . 16.1 t80 -110.24 128.48 55.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -110.93 156.3 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' ' N ' ' A' ' 30' ' ' LEU . . . -97.54 142.22 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 12.98 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -142.19 165.21 28.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.65 7.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -128.76 42.21 3.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -144.79 168.89 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -137.72 147.88 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -95.96 115.14 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 38' ' ' LEU . 17.7 m -131.18 117.99 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -67.93 179.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.83 143.96 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 48.34 29.62 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -93.01 119.48 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -63.46 138.07 58.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -142.25 139.16 31.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 106.7 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 43' ' ' PHE . 7.0 mm -68.15 101.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.22 -62.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -124.01 -177.24 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 40' ' ' ILE . 91.1 m-85 -130.8 24.49 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 149.41 11.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 35.9 p30 -87.19 -173.33 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -69.55 -28.16 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.409 ' CG2' ' OD2' ' A' ' 45' ' ' ASP . 14.5 t -91.29 26.42 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.86 69.96 0.72 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 7.1 t-20 -141.55 100.4 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -63.72 -12.88 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.07 -21.91 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -124.93 137.57 54.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -114.12 146.64 40.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -93.12 108.92 20.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.08 156.62 20.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.5 tt0 -122.31 121.53 36.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.4 t -114.21 74.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 61.19 68.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -55.52 3.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -54.6 125.66 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 18.3 mtmt -134.84 124.88 25.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.583 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -151.48 173.66 30.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.97 116.96 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -109.38 162.9 18.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.96 144.71 30.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.448 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 84.3 p -81.41 -0.79 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -93.39 -23.24 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 7.3 m-85 -97.84 23.62 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 4.7 mm -103.87 157.81 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -148.25 158.94 44.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.3 tttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 63.63 80.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 m -156.62 159.31 38.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.33 -164.82 34.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -108.03 151.94 25.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.67 143.73 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.92 130.01 1.08 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.3 m -110.51 -72.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.25 -54.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.01 170.26 14.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -145.52 166.49 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.22 150.5 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.117 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.77 94.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -145.84 123.89 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.44 92.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -98.89 147.18 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 25.9 p90 -128.97 154.45 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.5 140.66 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 t -72.34 -49.31 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.59 171.62 12.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.0 m -71.92 109.15 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -103.23 159.22 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.1 144.9 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 130.65 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.32 -23.69 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 164.33 16.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.51 18.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -79.39 -24.81 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CD ' ' CH2' ' A' ' 52' ' ' TRP . 52.6 mt-10 -94.21 160.47 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.98 145.84 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.2 p -92.36 132.02 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.06 160.93 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.26 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.93 130.48 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 74.96 9.81 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -78.17 127.95 33.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -75.08 145.19 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -153.08 134.29 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.77 109.3 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.523 HG23 ' CE2' ' A' ' 43' ' ' PHE . 5.4 mm -69.16 103.52 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' LEU . 16.0 mt -70.33 -54.46 12.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CE2' HG23 ' A' ' 40' ' ' ILE . 18.2 m-85 -123.4 27.17 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 153.52 29.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.615 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.56 -168.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 26.7 m -69.32 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -96.9 40.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 42.04 42.48 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.45 111.5 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p -76.88 -9.16 58.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.91 -32.83 74.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.452 ' CH2' ' CD ' ' A' ' 29' ' ' GLU . 95.4 m95 -103.99 128.03 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 24.4 m0 -113.51 144.29 43.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 108.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 tp -91.98 123.25 35.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.88 151.06 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.3 tt0 -126.32 117.35 22.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.7 t -93.44 -84.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.54 55.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.73 -31.17 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -73.19 106.82 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 8.6 mttt -99.87 137.05 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.93 148.07 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.615 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 3.5 m-85 -69.07 129.19 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -118.51 161.66 34.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 142.72 28.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 96.0 p -81.5 -4.35 55.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -21.9 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -103.2 35.45 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.409 ' CG1' ' HA ' ' A' ' 66' ' ' SER . 6.5 mm -113.35 154.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -149.9 154.16 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.91 137.97 51.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.6 p -74.44 102.78 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -138.36 76.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.78 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.89 153.38 0.85 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.33 2.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -67.77 164.12 20.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.13 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 66.52 133.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -171.92 150.75 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.16 149.04 21.04 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -157.4 133.92 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 0.724 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -172.92 169.54 4.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.053 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.72 -110.57 0.37 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 178.15 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -172.02 135.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.68 136.0 33.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.19 83.23 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.61 149.34 10.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.94 104.88 14.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -146.31 154.74 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG12 ' CG2' ' A' ' 72' ' ' THR . 12.5 p -166.19 120.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ARG . 6.7 m-85 -120.19 149.71 41.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 42.6 p90 -130.44 158.54 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 124.97 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 70' ' ' ARG . 5.5 t -66.29 -49.47 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -122.14 156.5 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 25.9 m -68.49 112.59 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -102.35 157.67 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -127.46 140.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.95 134.34 39.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -112.3 164.03 16.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.06 17.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.1 -21.83 18.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 52' ' ' TRP . 27.3 mt-10 -96.54 141.74 29.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -107.55 135.97 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.4 p -84.08 127.67 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.84 143.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -87.39 176.38 7.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.53 140.3 41.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.55 20.79 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -88.2 125.43 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.56 142.0 53.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.38 140.11 21.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 106.91 18.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -69.57 98.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 95.0 mt -66.36 -70.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.05 156.69 28.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 92.0 m-85 -102.21 12.53 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.09 140.34 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 1.2 p30 -65.96 174.03 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.0 -54.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 p -48.6 -34.23 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.36 81.76 1.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 48.6 t30 -165.31 131.22 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.8 p -82.3 50.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.45 -27.35 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 29' ' ' GLU . 92.1 m95 -131.76 114.19 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.53 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 37.0 m0 -90.39 143.65 26.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.96 104.12 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.6 144.4 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 28.1 tt0 -122.23 93.92 4.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.0 84.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.23 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.16 16.96 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 11.3 mttm -112.29 120.22 41.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -105.19 149.87 25.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . 178.13 149.84 8.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -80.64 122.22 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -121.68 163.25 32.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.06 144.09 29.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.438 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 95.1 p -82.51 -1.8 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -21.17 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -100.8 26.24 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.4 mm -108.4 157.98 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -147.09 161.0 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.53 128.98 55.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.57 169.12 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 72' ' ' THR . 8.9 mt-10 -118.33 133.48 55.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.9 p -112.57 160.51 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 151.78 23.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.0 4.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -43.57 140.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.84 128.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t 62.78 136.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 164.02 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.19 98.3 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -153.84 166.87 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.52 139.97 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.62 -158.92 14.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.5 m 63.16 128.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.51 84.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.55 123.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -114.83 138.7 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.42 164.33 25.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -98.77 92.99 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -163.79 151.62 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' CG1' HG22 ' A' ' 72' ' ' THR . 10.0 p -168.07 121.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 10.9 m-85 -126.64 150.16 49.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 51.7 p90 -131.2 154.5 48.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 126.42 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 7.3 t -69.77 -42.42 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.71 164.27 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -72.01 127.26 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -122.46 163.81 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.79 149.43 37.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.35 142.41 30.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 10.85 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.498 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -141.24 164.89 32.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 1.55 7.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -127.44 39.59 3.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' CD ' ' ND2' ' A' ' 26' ' ' ASN . 50.1 mt-10 -152.5 138.2 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -110.43 143.73 40.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 p -91.16 140.18 30.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 m -146.19 152.86 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 m -98.16 179.97 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.25 147.44 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 55.51 27.13 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -96.34 123.78 40.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.74 149.71 48.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -158.7 125.46 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 106.0 9.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 38' ' ' LEU . 9.3 mm -67.9 98.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.73 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -115.91 -173.58 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -131.82 10.38 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.72 142.64 17.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -65.94 -169.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.6 m -79.66 -27.21 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.3 t -86.59 8.94 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.2 40.2 34.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.34 111.03 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -78.56 -15.03 59.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -65.69 -19.81 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -117.97 135.09 54.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.024 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -115.76 148.04 40.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.022 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 tp -96.18 114.39 26.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.71 154.64 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -126.63 105.41 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.25 104.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.9 m-20 63.42 71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 37.35 50.79 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.112 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -90.59 146.5 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -171.23 150.36 13.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE2' ' OD2' ' A' ' 45' ' ' ASP . 10.7 m-85 -83.18 118.77 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.88 163.02 22.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 142.2 27.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.436 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 97.7 p -79.89 -5.95 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.54 -19.15 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -103.36 30.09 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -113.27 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -147.46 159.16 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -109.28 127.02 53.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -107.32 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 72' ' ' THR . 1.7 mt-10 -108.13 153.53 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.65 144.91 47.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.2 -150.9 20.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 87.89 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 p -162.91 159.1 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.11 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.939 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m 64.36 128.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 99.27 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 156.77 22.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -176.0 -58.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t 44.62 78.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.49 94.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 161.56 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -141.31 106.3 4.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.89 81.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -10.49 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.87 116.02 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -129.45 166.64 19.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -61.0 154.78 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.81 102.03 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 15.2 m-85 -119.58 156.22 30.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 33.2 p90 -141.83 145.31 34.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -54.18 118.07 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.539 HG12 ' CE2' ' A' ' 20' ' ' TYR . 42.9 t -55.6 -45.71 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.539 ' CE2' HG12 ' A' ' 19' ' ' VAL . 37.9 m-85 -134.24 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -67.97 115.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -111.42 162.37 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 143.63 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.79 116.24 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -15.81 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.96 164.25 20.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.25 14.38 19.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.539 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 32.4 mt-10 -114.34 157.89 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD23 ' CG2' ' A' ' 57' ' ' VAL . 1.9 tp -123.04 137.24 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.6 p -86.47 127.38 34.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.8 148.99 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m -88.45 177.47 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.68 148.92 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.9 m-80 51.81 30.73 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -99.76 120.17 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 149.02 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.04 147.88 28.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 110.29 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.73 110.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.44 -64.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.0 166.22 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -113.98 20.96 15.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 -168.37 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -136.05 170.85 15.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.15 -37.57 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 p -68.65 -31.48 70.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 96.61 57.7 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 50.1 t-20 -139.06 132.72 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -82.94 50.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.38 -36.59 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ3' ' OE2' ' A' ' 29' ' ' GLU . 97.7 m95 -111.48 106.93 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -87.49 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.3 tp -98.38 102.34 14.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.71 140.03 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.9 118.53 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.453 ' CG2' HD23 ' A' ' 30' ' ' LEU . 70.9 t -92.65 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 20.1 m120 -91.7 52.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.76 -32.51 4.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.14 119.14 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -104.31 137.12 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -162.01 149.71 18.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -72.9 128.77 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -124.27 160.38 52.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.1 p -79.1 -6.27 56.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -21.7 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.04 39.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mm -125.02 120.68 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -127.39 151.11 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 137.84 41.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -81.69 157.52 24.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -98.6 -44.85 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.8 p -174.65 139.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.66 159.9 0.28 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.19 13.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m 72.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.04 -58.01 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -109.65 169.86 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -131.05 167.64 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.43 156.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -134.35 -45.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.17 84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.02 -134.26 12.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m 59.81 167.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 131.53 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.95 103.15 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -158.93 81.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.71 -115.59 7.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 49.77 96.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -82.64 160.47 22.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t -147.45 115.02 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -111.64 151.54 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 20.1 p90 -133.38 157.05 46.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 32' ' ' VAL . . . -64.07 136.25 57.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 14.2 t -68.28 -51.49 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -122.98 175.43 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -75.07 102.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -97.53 151.38 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.6 ttpm? -127.76 142.87 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 128.93 35.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -108.79 -20.69 12.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -122.28 167.26 14.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.42 13.21 20.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.36 167.59 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tp -126.1 137.1 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.0 p -96.19 118.99 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 18' ' ' ALA . 14.5 m -139.72 142.26 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -82.83 -176.13 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 146.99 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 50.35 27.73 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -86.6 127.97 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -69.01 143.17 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.95 148.09 27.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.48 106.83 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.86 114.16 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.45 -65.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.96 142.75 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 97.3 m-85 -87.75 39.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -158.48 176.28 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -97.95 -88.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 47' ' ' THR . 3.0 m -80.07 52.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 14.6 t 49.34 35.82 8.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.78 -97.75 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -40.29 128.57 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.1 p -97.31 49.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.66 -39.94 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -111.96 144.39 41.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 107.962 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 49.9 m0 -112.42 135.37 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -83.99 108.28 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.22 139.57 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 42.5 tt0 -123.61 96.57 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.19 135.79 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.3 29.58 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.96 23.67 66.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -121.22 111.13 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 4.9 mtmm -88.28 155.92 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.86 156.58 13.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 21.9 m-85 -87.1 115.37 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -105.99 155.71 37.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.411 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 90.0 p -71.98 -16.51 62.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.25 -21.07 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 17.7 m-85 -102.53 38.63 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 7.3 mm -118.45 154.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.587 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -147.44 154.66 41.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -110.02 135.1 51.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 p -73.62 103.82 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 64.37 122.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.1 t -139.94 -57.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.92 -171.67 12.27 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 154.62 42.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p 43.1 81.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 91.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -119.46 168.7 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -135.95 165.98 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.04 -164.1 10.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -113.54 97.4 6.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.752 . . . . 0.0 109.927 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 p -175.28 169.82 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.73 110.17 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.52 87.04 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.23 143.75 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.4 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 53.95 81.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.48 121.64 0.99 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -53.81 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -46.42 154.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.61 127.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 13.0 m-85 -130.7 147.29 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.5 p90 -128.03 156.66 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 127.8 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' CG2' ' HG2' ' A' ' 70' ' ' ARG . 6.1 t -72.91 -42.31 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -126.52 168.84 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -79.88 104.75 10.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 78.9 t80 -97.37 164.27 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 23.0 tttt -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 122.73 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -107.43 -25.39 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -110.15 164.25 15.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -119.36 22.85 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 68.7 mt-10 -126.35 145.49 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -111.0 140.32 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -90.12 132.38 35.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 16.4 m -133.96 167.34 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.32 172.17 7.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.37 130.32 36.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 4.8 m-20 83.57 -6.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' OE1' ' CB ' ' A' ' 32' ' ' VAL . 1.5 tt0 -67.81 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -72.68 151.83 42.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.27 141.46 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 106.1 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mm -66.17 90.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' LEU . 95.1 mt -56.94 -66.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -123.2 -178.89 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.0 m-85 -122.85 32.36 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.35 -169.96 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.574 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 7.2 p30 -147.08 -175.25 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -37.2 -75.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.437 HG22 ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -37.66 -46.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.33 -16.63 9.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 21.2 p30 -46.01 170.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.8 p -120.33 27.38 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 -9.46 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 75.7 m95 -128.47 139.41 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.7 m0 -116.59 143.89 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 36.7 tp -90.28 96.25 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -97.77 139.53 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.19 115.27 23.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 54.5 t -85.94 -102.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 19.8 m-20 -102.04 60.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.11 -30.81 5.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -68.11 110.42 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.14 136.84 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -165.08 154.67 25.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 10.7 m-85 -79.64 127.59 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.57 163.61 33.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.93 144.11 30.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.435 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.8 p -81.91 -2.47 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.87 -20.69 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 6.6 m-85 -99.95 23.71 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 2.7 mm -107.72 158.98 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -145.47 156.86 43.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 125.13 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -104.8 167.28 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 72' ' ' THR . 7.9 pt-20 -112.68 162.16 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.7 p -104.41 160.46 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.02 -155.2 6.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.9 p -91.23 126.13 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t 65.22 126.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p 55.96 170.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.82 -85.02 0.56 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t 44.82 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.12 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.68 -129.25 24.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.7 164.38 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -121.38 47.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 76.57 77.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.8 113.52 20.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.68 -112.23 4.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -169.13 -68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -47.59 150.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 72' ' ' THR . 79.3 t -136.73 94.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.41 153.59 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 38.3 p90 -138.19 153.2 49.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.19 130.61 46.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 70' ' ' ARG . 14.8 t -70.21 -47.15 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.54 158.24 30.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 3.1 m -67.72 106.33 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' VAL . 88.3 t80 -108.13 154.83 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.24 49.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -75.25 171.88 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 1.3 mpp_? -166.59 -36.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -97.0 160.56 28.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.2 Cg_endo -75.03 42.51 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 18.5 m-80 -175.76 33.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.48 142.35 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -109.71 141.51 42.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 138.73 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' PHE . 11.9 m -146.38 133.82 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.85 -178.09 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.81 137.47 36.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 63.9 13.02 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -78.56 122.85 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -59.34 150.71 25.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.59 126.23 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HE2' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.46 112.59 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.9 mm -75.31 103.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -70.14 -64.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.06 152.67 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 83.4 m-85 -96.44 13.68 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 145.15 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLY . 3.5 p30 -83.83 171.18 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -48.61 -40.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -56.4 -25.85 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 101.55 -9.26 57.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.59 123.82 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.9 p -87.36 44.26 1.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -113.81 -39.01 4.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.08 127.52 47.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 107.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 45.1 m0 -104.38 134.03 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.73 107.75 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -108.92 144.54 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -124.64 108.96 12.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -117.62 110.92 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.2 m-20 58.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 36.84 56.51 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -154.25 106.36 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -86.2 150.5 24.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.27 152.61 17.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.49 123.73 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -122.84 162.85 36.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.247 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 143.63 29.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.4 p -79.23 -3.34 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -90.47 -22.17 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -101.7 34.51 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.1 mm -115.72 151.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -142.9 159.29 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -121.52 124.79 45.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 15' ' ' VAL . 3.4 t -82.68 153.94 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 56.62 104.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -108.12 105.95 15.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.64 159.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.05 23.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 t -171.93 85.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t 63.0 124.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -68.84 148.99 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -174.43 153.27 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.8 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 65.93 155.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -167.89 104.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.93 -160.55 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -131.74 -60.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.3 -45.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 69.59 122.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -106.99 171.01 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.78 -120.28 4.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.05 106.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.39 152.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 72' ' ' THR . 9.1 p -174.61 127.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -118.43 147.95 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 49.1 p90 -129.14 154.48 46.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -64.51 136.97 57.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 69' ' ' ILE . 3.4 t -85.02 -52.65 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.07 150.99 33.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -62.72 105.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD2' HG11 ' A' ' 64' ' ' VAL . 53.8 t80 -92.6 166.42 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -143.9 146.14 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 119.85 22.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -102.7 -24.54 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -120.13 164.11 24.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.09 9.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -117.21 26.47 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 25.0 mt-10 -133.76 153.82 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -114.99 141.98 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -89.59 135.05 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 35.6 m -137.65 168.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.2 m -112.91 178.72 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 144.88 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.2 m-20 57.92 26.35 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -94.28 124.47 38.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.24 148.92 49.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.98 130.9 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 107.87 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.547 HG23 ' CE1' ' A' ' 43' ' ' PHE . 7.3 mm -69.35 99.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.61 -69.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -119.55 179.22 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE1' HG23 ' A' ' 40' ' ' ILE . 91.4 m-85 -127.42 28.39 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -169.45 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 1.3 p30 -141.0 170.45 15.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 m -41.56 -55.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 p -52.73 -40.74 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 104.89 59.27 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 51' ' ' GLU . 41.2 t-20 -138.02 134.91 35.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 30.3 p -83.21 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' CD ' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -114.18 -25.54 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.609 ' CD1' ' CD ' ' A' ' 51' ' ' GLU . 97.3 m95 -123.0 109.14 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.443 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 38.3 m0 -87.85 143.68 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -93.72 104.48 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.63 142.8 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.81 115.85 25.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.43 ' CG2' HD23 ' A' ' 30' ' ' LEU . 76.5 t -91.35 -98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -89.53 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.82 -28.06 7.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -70.18 104.12 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -84.15 139.25 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -161.84 146.83 12.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -72.36 118.72 15.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.09 164.36 15.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.91 145.34 31.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.6 p -86.56 5.8 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.51 -28.82 13.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 18.0 m-30 -97.53 43.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 2.5 mm -120.77 154.58 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.98 156.82 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 126.86 52.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -106.79 168.35 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 72' ' ' THR . 0.7 OUTLIER -135.58 -55.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.98 83.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.4 160.19 3.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.5 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.5 t -99.35 85.93 3.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -135.33 165.37 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -128.24 162.46 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -54.72 112.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.38 -63.07 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 61.55 93.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -131.8 171.83 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.052 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.1 179.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.17 162.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 61.62 125.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.54 153.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 145.49 47.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.49 135.13 12.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.02 154.2 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 48.91 98.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.4 100.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -104.79 152.43 22.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CE2' HG22 ' A' ' 72' ' ' THR . 47.2 p90 -134.46 156.47 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 20' ' ' TYR . . . -72.7 76.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.487 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 7.1 p -39.78 -30.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 63.1 m-85 -127.77 140.84 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.43 137.58 58.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 65' ' ' PRO . 24.4 t80 -135.72 151.94 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.75 141.83 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.96 92.37 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -77.29 -19.42 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -117.77 163.36 24.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.01 21.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.76 -16.94 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE1' ' CA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -86.18 148.13 25.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 1.9 tp -106.91 140.46 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 p -95.13 125.13 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.29 133.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -75.3 -176.95 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -76.3 155.94 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 18.3 p30 41.78 34.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -101.28 121.98 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 146.5 48.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD23 ' CB ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -153.39 148.9 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -91.14 115.81 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.66 88.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 71.3 mt -59.47 -65.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.23 179.62 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 56.6 m-85 -126.29 25.71 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -143.07 -165.88 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.77 173.57 11.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -42.83 -58.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 p -50.38 -41.54 52.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.29 32.93 2.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -103.34 135.88 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 p -85.11 47.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -116.67 -36.61 3.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' LYS . 95.5 m95 -107.75 125.53 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 41.9 m0 -102.26 154.28 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -96.45 98.61 10.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 141.33 28.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 25.2 tt0 -125.19 97.85 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 76.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 54.16 69.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.78 -50.31 2.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.1 mmtp -54.33 104.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.74 143.12 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.92 160.21 24.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -84.04 138.28 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -136.8 169.44 13.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -75.0 135.27 18.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.472 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 83.8 p -73.94 -4.63 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -88.07 -22.39 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 20' ' ' TYR . 3.0 m-85 -93.48 8.41 40.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -108.0 103.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -118.76 138.65 52.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -84.94 143.89 28.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' CE2' ' A' ' 17' ' ' PHE . 21.6 p -75.97 100.34 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -92.4 114.97 27.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -90.3 105.47 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.73 148.47 42.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 91.98 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -107.8 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 m 60.71 117.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.85 169.85 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.29 -58.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.26 108.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.61 161.32 9.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 115.1 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.24 -136.58 34.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.94 100.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -111.95 39.5 2.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 86.2 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.98 80.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.8 -127.65 1.9 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.28 171.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -111.45 153.85 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 72' ' ' THR . 96.3 t -146.83 111.07 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -100.27 153.51 19.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 32.2 p90 -137.51 155.73 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.95 139.82 48.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 70' ' ' ARG . 1.8 t -83.63 -48.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -118.36 141.42 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.9 m -58.16 103.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 46.9 t80 -86.95 166.46 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -138.64 126.77 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.9 131.29 41.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.05 -22.87 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -121.48 164.5 24.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -98.29 -16.42 19.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' CD ' ' OD1' ' A' ' 26' ' ' ASN . 95.8 mt-10 -96.97 142.66 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.0 p -86.15 133.22 33.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.8 m -136.49 148.02 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -92.87 168.69 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.92 142.19 54.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 60.92 23.83 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 54.1 tp60 -86.08 157.29 20.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 7.3 tttt -99.66 133.07 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -140.47 154.82 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 13.0 tppt? -104.7 114.04 28.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.403 HG23 ' CE3' ' A' ' 53' ' ' TRP . 3.4 mm -77.36 92.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 88.4 mt -66.92 -60.99 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.07 157.63 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.38 29.11 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -173.66 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG2' ' A' ' 47' ' ' THR . 55.6 p30 -133.36 -169.19 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.25 -35.97 76.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.437 ' CG2' ' OD2' ' A' ' 45' ' ' ASP . 14.9 t -91.1 31.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.73 63.1 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 35.0 t-20 -130.5 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -59.9 -22.28 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -51.6 -29.09 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -113.3 127.95 56.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.403 ' CE3' HG23 ' A' ' 40' ' ' ILE . 28.9 m0 -111.43 143.24 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 tp -86.58 101.27 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . . . -94.37 150.26 20.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 32.7 tt0 -134.43 104.86 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.78 74.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 62.63 69.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.65 -50.62 4.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -55.53 109.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -111.25 159.13 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.3 163.37 24.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.088 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 126.65 36.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.524 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.59 167.0 13.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 139.97 24.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.449 1.763 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.2 p -80.94 1.25 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -92.83 -33.93 14.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 19.8 m-30 -93.78 41.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -116.92 163.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -162.31 154.58 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.6 128.29 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 15' ' ' VAL . 10.1 t -88.02 160.23 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -104.35 132.9 50.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.07 98.45 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.34 143.94 0.36 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.67 42.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -125.25 100.56 6.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -59.57 113.55 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -120.27 118.43 30.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -117.97 148.38 42.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.4 -161.95 0.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -98.37 123.98 42.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.16 102.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.48 -161.02 32.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 t 64.52 90.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -178.26 123.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.08 170.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.67 132.32 40.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.81 104.69 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.33 162.03 21.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 61.07 141.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 72' ' ' THR . 2.4 p -156.62 117.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -138.38 147.29 43.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 9.2 p90 -131.26 149.56 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 130.32 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.408 HG13 ' CE2' ' A' ' 20' ' ' TYR . 32.2 t -61.83 -53.09 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CE2' HG13 ' A' ' 19' ' ' VAL . 39.9 m-85 -124.98 165.75 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.7 m -65.33 110.28 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -104.19 151.03 23.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -123.21 136.34 54.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 122.44 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.8 -22.3 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -106.51 165.93 12.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.83 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -83.43 -37.19 23.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.19 149.95 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.23 135.34 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -85.07 127.85 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -138.82 129.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -74.06 -176.51 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.21 138.35 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 58.82 23.43 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -88.0 119.38 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 150.19 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -155.14 148.96 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 109.08 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 38' ' ' LEU . 5.1 mm -73.97 108.92 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 61' ' ' LYS . 95.9 mt -75.2 -61.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.09 153.86 46.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.33 28.31 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -151.6 153.95 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.569 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 10.1 t0 -72.29 -155.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 12.0 m -78.17 -27.91 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 49' ' ' ASN . 11.7 t -98.33 44.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.85 28.12 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 47' ' ' THR . 45.6 t30 -89.84 127.43 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 p -82.49 50.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -118.93 -38.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -113.04 143.41 44.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -112.97 132.36 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.08 96.04 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -92.62 147.81 22.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 35.1 tt0 -138.52 94.35 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.82 148.65 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 60.59 20.86 10.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.62 80.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.166 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -112.96 108.36 17.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 25.1 mtpt -78.85 152.08 31.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . 178.54 163.12 29.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 39.5 m-85 -100.91 124.38 46.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.4 164.1 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.01 144.55 30.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.446 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.7 p -81.71 -1.37 46.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -91.07 -24.64 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -102.22 35.23 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 7.3 mm -111.16 152.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.73 154.19 42.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.0 137.78 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.479 ' HB ' ' CG1' ' A' ' 15' ' ' VAL . 26.1 m -89.39 33.89 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' THR . 14.0 pt-20 -49.84 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.8 t 179.41 -45.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.76 153.86 27.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.21 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.5 -57.96 2.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -161.81 -58.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -71.86 153.22 42.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.97 166.33 33.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -84.9 162.35 19.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -66.16 -57.54 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -154.73 26.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -61.94 149.74 39.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -112.86 73.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.237 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.27 106.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.05 167.51 12.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.86 140.41 3.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -59.4 -164.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.623 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 4.9 pt20 33.34 99.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.6 t -138.77 103.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 6.6 m-85 -105.97 156.93 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 30.7 p90 -135.21 155.51 50.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 137.03 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HB ' ' CD2' ' A' ' 20' ' ' TYR . 2.4 t -71.46 -48.28 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 6.8 m-85 -132.1 154.99 48.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.07 102.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 55.8 t80 -86.91 168.74 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -141.34 135.54 30.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.39 136.58 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -113.34 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 164.32 16.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.15 9.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -105.55 -23.38 12.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 79.4 mt-10 -87.43 141.13 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -107.54 140.9 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.9 p -84.49 136.73 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.62 146.68 31.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -85.95 171.63 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.05 141.21 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 63.53 14.3 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 30.3 tp60 -81.27 155.99 25.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 8.3 mtpm? -98.35 135.19 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.611 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -136.2 133.54 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE2' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.1 112.01 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mm -72.1 111.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 61' ' ' LYS . 16.3 mt -83.21 -58.4 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -134.86 143.47 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.03 27.01 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 148.48 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 8.3 p30 -102.36 173.03 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -45.89 -48.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.5 p -51.53 -33.01 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.15 66.7 1.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 33.4 t30 -128.32 8.74 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ASN . 11.5 p 37.78 34.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -113.26 -31.72 6.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 98.4 m95 -105.6 107.85 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -90.0 130.29 36.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.8 101.61 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -107.24 142.81 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -123.27 117.96 26.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 73.2 t -103.47 -103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.469 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -73.26 80.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 36.81 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 1.7 mttm -135.91 130.05 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 7.8 mttp -99.68 148.01 24.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -166.25 147.86 12.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -78.87 109.58 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -103.59 162.37 20.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -81.33 -3.03 51.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -21.09 22.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -103.07 35.65 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -117.69 146.93 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . 1.6 mmp_? -138.46 154.33 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.09 132.31 54.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.8 p -75.02 103.7 5.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' GLY . 12.5 pt-20 -78.27 131.18 36.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.86 -65.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . -176.03 -176.61 44.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 66.88 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -171.14 154.68 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 t -165.96 121.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p 46.37 89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -105.47 132.61 51.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.59 147.69 17.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -156.52 158.39 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m 62.36 111.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.83 129.71 10.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.2 p -172.21 168.74 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.23 84.36 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.03 169.23 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 58.46 113.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.29 163.19 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.26 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -42.76 155.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.8 t -142.56 107.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.25 150.24 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 7.0 p90 -137.5 159.17 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.4 126.32 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 17.3 t -55.43 -57.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -115.71 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 20.6 m -85.07 108.56 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 79.2 t80 -103.58 162.34 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.9 tptt -140.85 151.48 44.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.42 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.01 -25.53 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.262 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -117.49 161.34 34.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.5 Cg_endo -74.92 55.3 3.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 24.3 m-80 -166.42 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.52 147.69 44.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' CD2' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -105.79 136.84 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 137.09 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG1' HD23 ' A' ' 30' ' ' LEU . 35.8 m -147.29 129.35 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 m -75.1 -173.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.85 139.28 37.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 60.99 20.67 11.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -83.31 114.09 21.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.27 144.65 19.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 0.3 OUTLIER -154.01 134.3 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -88.08 110.81 20.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 5.1 mm -70.36 107.91 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 18.3 mt -75.47 -68.95 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.53 167.94 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 94.2 m-85 -112.76 31.34 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 -170.61 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.432 ' OD2' ' CG2' ' A' ' 47' ' ' THR . 51.9 p30 -132.18 -170.01 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 m -66.1 -36.51 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.432 ' CG2' ' OD2' ' A' ' 45' ' ' ASP . 12.5 t -90.39 32.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.48 61.69 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.5 t-20 -125.76 127.94 46.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.8 p -89.8 39.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.91 -22.95 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.501 ' CE3' ' C ' ' A' ' 64' ' ' VAL . 56.5 m95 -133.52 114.75 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 50.4 m0 -86.82 173.5 9.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.9 tp -113.97 104.88 12.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -105.87 140.8 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 34.1 tt0 -118.49 97.79 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 30' ' ' LEU . 32.8 m -115.57 135.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 57.28 55.36 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.96 35.03 1.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -129.61 122.39 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -96.39 139.15 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.1 138.59 4.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -69.91 116.02 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.501 ' C ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -101.48 156.84 34.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.562 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 98.5 p -53.65 -19.78 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.93 -17.8 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -112.02 41.2 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 30.8 mm -113.49 162.69 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -165.82 156.95 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 72' ' ' THR . 3.3 tttt -123.22 99.07 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 71' ' ' LYS . 4.7 p 33.48 -149.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.23 139.44 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.6 p -94.77 132.52 39.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.26 179.3 25.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.73 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.66 85.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -39.43 -57.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -178.29 117.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 63.32 159.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.22 109.88 3.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -146.78 81.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.73 154.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.57 79.43 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.63 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.75 130.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.41 126.86 26.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.76 84.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.11 172.91 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.42 100.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 3.3 pm0 -48.07 157.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 14' ' ' GLN . 18.3 t -159.98 122.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 7.0 m-85 -115.1 156.27 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 33.3 p90 -136.23 146.28 46.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.58 123.77 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 20' ' ' TYR . 12.9 t -68.8 -23.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 19' ' ' VAL . 56.1 m-85 -153.13 153.58 33.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.14 120.2 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 54.3 t80 -120.11 163.05 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 53.6 tttm -134.24 146.06 49.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.64 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -101.14 -29.86 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -113.25 164.3 16.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -103.45 -20.5 14.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.7 mt-10 -81.76 171.95 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 1.8 tp -136.49 141.94 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.9 p -85.56 132.11 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.76 124.0 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -70.41 178.27 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.75 144.35 33.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 61.89 13.75 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 38' ' ' LEU . 34.4 tp60 -78.62 152.64 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 3.6 mtpt -98.71 135.93 39.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.92 145.75 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 105.88 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.3 mm -66.87 107.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -83.05 -58.37 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.9 160.58 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 40' ' ' ILE . 56.2 m-85 -109.76 31.41 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.73 170.3 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -108.63 -176.1 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 8.9 m -62.49 -20.54 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -99.61 33.73 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.76 45.76 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -113.51 122.38 47.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -82.67 50.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.96 -35.6 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 83.9 m95 -109.69 131.3 55.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.8 94.39 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . . . -95.8 149.44 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 10.2 tt0 -128.54 119.36 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 58.8 t -93.19 -98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 24.2 m-20 -103.51 55.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.08 -33.21 4.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -67.02 108.98 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 14.3 mttp -102.18 137.98 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -164.85 154.51 25.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' HH ' ' N ' ' A' ' 46' ' ' VAL . 6.7 m-85 -76.74 121.19 22.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.16 163.95 18.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.518 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 143.99 29.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.462 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 91.9 p -82.45 -13.74 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -80.96 -17.23 51.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -105.0 30.4 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.498 ' C ' ' CG2' ' A' ' 19' ' ' VAL . 3.7 mm -115.69 136.63 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.603 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 4.2 tpt180 -122.58 153.64 39.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -107.87 132.8 53.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.401 HG23 ' CD2' ' A' ' 17' ' ' PHE . 11.6 p -78.14 103.76 8.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.25 -65.12 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.83 84.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.26 148.51 20.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.17 36.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 165.96 22.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.8 p -164.26 93.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p 55.86 167.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -147.03 -60.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.34 -161.21 28.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 133.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -175.16 169.42 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.17 172.43 35.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -100.08 152.43 20.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -113.11 -28.78 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.88 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -120.22 115.97 24.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.26 -131.21 10.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.8 171.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.56 143.75 53.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.36 108.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.54 148.75 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 45.7 p90 -130.36 153.15 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -66.87 132.83 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 70' ' ' ARG . 15.7 t -72.73 -48.3 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.47 148.2 44.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.6 m -58.8 101.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 76.9 t80 -93.42 171.27 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -149.78 147.51 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -76.78 173.31 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.518 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -165.4 -36.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -98.06 165.25 15.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.449 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.3 Cg_endo -75.04 55.23 3.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 15.4 m-80 -174.39 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -62.14 144.59 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -116.5 145.22 43.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -86.79 129.19 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 16.1 m -135.66 149.14 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -88.73 174.95 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -77.55 140.81 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.7 m-20 58.74 24.2 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -93.49 122.93 36.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -65.79 144.55 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.19 107.66 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.525 HG23 ' CE1' ' A' ' 43' ' ' PHE . 5.4 mm -66.39 120.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' CB ' ' CD1' ' A' ' 54' ' ' LEU . 25.8 mt -91.42 -28.56 17.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 20.3 mt-10 -162.51 171.23 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 50.8 m-85 -117.75 14.64 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.7 130.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -63.52 172.14 2.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' GLY . 9.3 m -47.23 -52.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.472 ' CG2' ' CG ' ' A' ' 45' ' ' ASP . 1.5 t -41.69 -27.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' VAL . . . 105.25 -23.14 31.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 37.0 t-20 -53.3 135.97 37.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.8 p -96.02 41.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.06 -27.96 11.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.28 141.59 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 26.8 m0 -114.08 140.69 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.565 ' CD1' ' CB ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -81.04 123.92 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -130.02 135.35 48.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -125.33 108.69 11.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 83.4 t -88.27 -106.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' LYS . 72.1 m-20 -79.16 87.29 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.24 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' ASN . 4.2 mttm -127.71 107.6 10.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -78.97 150.58 31.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -174.54 153.44 16.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.4 m-85 -94.03 135.3 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -123.65 165.86 21.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.7 p -81.81 5.86 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 -24.17 14.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.07 28.82 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 4.4 mm -107.04 158.97 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -149.0 160.28 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -121.69 132.75 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.7 p -74.02 103.39 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.67 57.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.6 p -113.06 135.87 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.06 151.58 51.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.71 26.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.482 1.78 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.1 p -176.27 161.14 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.938 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.16 29.65 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 t -94.7 140.03 30.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -155.04 139.91 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.34 -112.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m 57.45 104.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -73.58 161.94 29.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 -138.94 6.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -91.05 166.64 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.6 84.63 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.15 151.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.07 156.64 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.06 121.92 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -135.19 95.87 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 96.2 mt-30 -72.04 146.87 47.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG1' ' HE2' ' A' ' 37' ' ' LYS . 57.9 t -153.49 113.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.79 148.54 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 39.0 p90 -128.34 149.54 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.98 130.93 47.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.3 t -64.68 -44.76 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -133.14 164.13 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -65.98 106.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 67.8 t80 -100.08 150.58 22.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 144.43 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -73.78 171.83 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -164.42 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -99.7 164.85 15.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 5.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -131.77 34.93 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 26' ' ' ASN . 2.9 mt-10 -131.53 159.5 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 57' ' ' VAL . 1.4 tp -126.36 148.78 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -97.25 122.34 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG11 ' CG2' ' A' ' 57' ' ' VAL . 19.0 m -129.18 174.55 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.44 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.11 136.48 37.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.65 17.26 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -86.72 119.06 26.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 15' ' ' VAL . 2.2 ttmt -60.51 149.54 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.2 133.32 14.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 108.45 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.564 HG23 ' CE1' ' A' ' 43' ' ' PHE . 5.2 mm -66.38 118.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' CB ' ' CD1' ' A' ' 54' ' ' LEU . 20.3 mt -89.65 -30.67 17.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 24.5 mt-10 -161.92 171.46 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 40' ' ' ILE . 62.1 m-85 -117.8 11.05 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 134.01 9.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.82 173.95 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.58 -57.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -38.02 -35.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.57 -8.46 30.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.35 139.91 58.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -101.44 36.11 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.64 -24.32 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -118.27 144.59 45.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.556 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 28.1 m0 -116.64 146.18 42.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.559 ' CD1' ' CB ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -86.39 126.54 34.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . . . -130.89 142.41 50.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.4 tt0 -127.47 103.27 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 30' ' ' LEU . 86.1 t -77.7 -106.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.2 t-20 -83.82 50.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -26.37 7.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.78 105.27 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 mtmt -84.42 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.98 156.88 22.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.1 m-85 -90.49 135.36 33.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.24 166.44 15.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 143.45 29.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -77.63 -1.07 29.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.17 -20.7 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 7.7 m-85 -103.16 35.75 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.17 155.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -147.55 149.88 33.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.6 130.8 49.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 15' ' ' VAL . 3.0 t -97.05 150.8 20.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.56 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -42.88 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.83 147.81 8.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.73 42.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.28 159.38 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.7 p -145.09 154.36 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.062 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -164.67 163.32 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -138.59 123.54 18.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.33 -80.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.61 159.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 0.797 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.01 165.51 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.69 -161.66 9.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 p -100.64 122.76 43.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 126.06 16.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.18 164.8 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.89 127.33 44.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.32 79.11 1.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.02 152.69 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -57.03 152.4 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.38 93.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.06 150.45 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 41.0 p90 -136.45 152.2 50.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . . . -64.94 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.509 ' HB ' ' CD1' ' A' ' 20' ' ' TYR . 5.5 t -79.35 -39.5 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.509 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 41.6 m-85 -129.63 172.17 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 97.7 m -83.69 94.55 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 88.8 t80 -91.13 169.13 11.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 1.5 ttmt -149.98 143.04 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.31 129.91 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -111.24 -19.19 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.35 164.1 23.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -166.14 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.78 177.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -131.59 152.96 50.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.4 p -103.86 103.99 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 30' ' ' LEU . 33.3 m -130.65 125.59 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 m -75.54 -178.36 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.88 141.36 40.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 58.33 24.35 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -93.41 123.11 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -59.3 150.08 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -158.15 125.99 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HE2' ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.99 111.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.432 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 5.4 mm -70.07 108.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 27.9 mt -78.99 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -120.8 -176.46 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 85.5 m-85 -131.72 38.28 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 154.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 17.3 p-10 -108.54 -174.91 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.8 m -48.32 -47.92 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.0 p -51.5 -21.68 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 -26.7 15.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 48.3 t-20 -53.61 139.73 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.7 p -91.9 39.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . 2.7 mt-10 -107.85 -19.2 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -111.37 106.32 15.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.3 m0 -91.66 142.4 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 tp -91.16 101.36 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -104.36 148.32 26.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -112.83 117.51 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.7 136.86 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 52.6 35.81 19.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.65 7.45 47.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -104.62 127.2 52.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 0.733 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -109.46 128.1 54.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.563 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -150.76 161.88 29.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 7.8 m-85 -82.31 108.23 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -102.99 160.49 26.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.99 146.1 32.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 87.7 p -80.51 -10.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.72 -21.27 34.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -102.44 35.57 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG1' ' HA ' ' A' ' 66' ' ' SER . 5.3 mm -115.94 152.9 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -150.02 154.33 38.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.15 127.76 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.8 p -62.48 103.53 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -49.14 -52.89 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m 55.47 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.33 160.0 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.39 26.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m 59.07 86.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.16 124.25 30.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 -58.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.99 167.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.5 156.71 7.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -163.23 -55.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m 61.93 140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.7 163.3 30.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.71 117.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.77 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 62.93 127.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.14 73.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.73 142.98 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.46 74.27 0.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER 174.54 164.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 13' ' ' ASN . 44.8 mt-30 59.29 151.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 72' ' ' THR . 12.3 p -175.44 127.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 71' ' ' LYS . 10.8 m-85 -120.12 153.14 36.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 48.5 p90 -133.79 158.51 43.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -71.91 121.83 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 69' ' ' ILE . 4.5 t -63.91 -29.57 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 42.3 m-85 -141.99 160.26 40.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.3 m -68.3 113.96 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' NE ' ' A' ' 25' ' ' ARG . 78.2 t80 -111.24 128.07 55.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.9 mmtt -114.84 109.45 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' LYS . . . -27.52 138.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -117.31 -14.14 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -132.85 161.99 60.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.43 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.803 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -167.08 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.59 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.6 mt-10 -65.28 150.58 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD1' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -107.1 138.93 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 24' ' ' ALA . 18.9 m -85.95 119.43 26.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.479 ' CG1' HD21 ' A' ' 30' ' ' LEU . 15.6 m -119.54 116.37 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.06 174.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.92 127.73 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 9.5 m-20 82.98 -2.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' HD12 ' A' ' 38' ' ' LEU . 7.8 tp60 -63.52 150.04 44.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 3.7 mtpm? -98.06 134.35 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.55 137.76 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -93.32 108.24 19.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 3.9 mm -64.03 113.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 56' ' ' GLU . 26.6 mt -87.87 -62.52 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.28 156.5 38.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -106.06 32.26 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.36 -164.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -147.38 174.53 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -41.8 -60.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' ' OD1' ' A' ' 45' ' ' ASP . 62.8 p -49.93 -34.99 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 102.39 30.19 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -102.59 135.76 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p -86.26 45.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -111.45 -30.53 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 89.1 m95 -111.52 128.5 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -105.45 139.32 40.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.0 tp -87.67 101.07 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.08 132.99 49.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 31.6 tt0 -108.15 109.04 20.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.522 HG22 ' CD1' ' A' ' 30' ' ' LEU . 7.1 m -130.76 134.31 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 61.16 44.24 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.8 34.85 22.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -131.58 122.28 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -95.5 132.38 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.66 140.44 6.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -68.41 142.48 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -138.91 163.24 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.49 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 144.6 30.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.452 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 86.5 p -84.12 -1.22 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.85 -19.5 21.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 6.3 m-85 -103.22 25.29 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 3.9 mm -107.2 164.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.488 ' O ' ' CD2' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -156.46 160.2 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.325 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 7.0 ttpt -109.07 135.15 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.469 ' CG2' HG11 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.76 166.42 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 72' ' ' THR . 2.7 pm0 -164.84 138.1 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.51 85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.31 120.05 10.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -43.12 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.96 156.22 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -172.53 84.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.64 -58.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 m -140.03 -58.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.86 81.38 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.51 136.01 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.75 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.32 97.69 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.34 72.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.4 p -153.18 161.46 42.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.28 78.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.07 133.26 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.37 89.85 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.31 9.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.418 1.074 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.41 -66.51 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.71 110.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t -126.38 87.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -102.35 146.43 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 31.5 p90 -128.3 150.37 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -62.2 143.84 56.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 69' ' ' ILE . 2.6 t -92.18 -49.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -116.45 135.55 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -49.48 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -87.73 163.28 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 135.02 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.48 108.34 19.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -90.05 -28.16 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.51 163.24 18.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.21 21.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -90.56 -22.65 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 81.9 mt-10 -87.46 143.1 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -103.89 129.88 51.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -80.99 138.65 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 HG13 ' CD2' ' A' ' 38' ' ' LEU . 33.5 m -148.85 146.68 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.79 179.13 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.7 132.57 37.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' ALA . 40.7 m-20 68.88 16.04 8.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -86.15 113.98 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -60.32 138.93 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' CD2' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -146.97 141.68 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -82.3 122.84 28.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 43' ' ' PHE . 14.1 mm -93.12 115.67 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 56' ' ' GLU . 1.9 mp -87.24 -58.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -119.01 -177.83 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.1 m-85 -132.99 14.34 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 149.61 19.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.629 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -72.42 -169.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -39.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.0 p -59.04 -26.84 64.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.44 -26.61 9.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -50.1 129.83 21.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 p -89.19 37.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.12 -36.57 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 85.1 m95 -105.06 134.55 47.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 23.0 m0 -114.15 141.18 47.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -86.09 126.32 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -131.09 152.53 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' HD11 ' A' ' 41' ' ' LEU . 33.7 tt0 -135.57 87.59 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.2 p -122.07 123.76 69.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.1 t-20 83.35 26.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.58 68.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 2.6 mttp -128.31 116.84 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.47 156.68 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.34 149.84 6.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 4.5 m-85 -76.03 135.09 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -119.83 161.44 38.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.06 139.29 23.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.9 p -81.44 5.0 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -99.02 -24.66 14.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 14.4 m-30 -104.59 47.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 2.9 mm -122.78 152.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -147.69 154.68 40.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -118.52 120.71 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.5 p -56.44 101.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.29 148.23 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.5 m -94.41 122.62 37.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.17 -167.66 43.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.74 3.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.64 167.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.96 105.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -150.32 105.75 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -175.61 81.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.56 64.08 3.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 t -64.64 -59.62 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -92.74 81.78 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.38 -170.81 23.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.55 105.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -146.98 90.75 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.39 78.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.27 103.05 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -39.12 121.56 1.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -138.02 165.05 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.39 154.29 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -151.72 112.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 26.7 m-85 -120.89 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 43.3 p90 -133.75 156.27 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.42 131.09 44.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' CG2' ' HG2' ' A' ' 70' ' ' ARG . 12.5 t -67.53 -43.36 87.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 32.3 m-85 -127.45 172.48 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.81 101.56 6.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.438 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 65' ' ' PRO . 16.1 t80 -110.24 128.48 55.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -110.93 156.3 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB2' ' N ' ' A' ' 30' ' ' LEU . . . -97.54 142.22 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 12.98 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -142.19 165.21 28.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.65 7.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -128.76 42.21 3.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -144.79 168.89 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -137.72 147.88 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -95.96 115.14 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 38' ' ' LEU . 17.7 m -131.18 117.99 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 m -67.93 179.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.83 143.96 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 48.34 29.62 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -93.01 119.48 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -63.46 138.07 58.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -142.25 139.16 31.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 106.7 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 43' ' ' PHE . 7.0 mm -68.15 101.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.22 -62.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -124.01 -177.24 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 40' ' ' ILE . 91.1 m-85 -130.8 24.49 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 149.41 11.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 35.9 p30 -87.19 -173.33 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -69.55 -28.16 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.409 ' CG2' ' OD2' ' A' ' 45' ' ' ASP . 14.5 t -91.29 26.42 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.86 69.96 0.72 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 7.1 t-20 -141.55 100.4 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -63.72 -12.88 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.07 -21.91 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -124.93 137.57 54.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -114.12 146.64 40.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -93.12 108.92 20.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.08 156.62 20.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.5 tt0 -122.31 121.53 36.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.4 t -114.21 74.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 61.19 68.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -55.52 3.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -54.6 125.66 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 18.3 mtmt -134.84 124.88 25.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.583 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -151.48 173.66 30.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.97 116.96 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -109.38 162.9 18.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.96 144.71 30.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.448 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 84.3 p -81.41 -0.79 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -93.39 -23.24 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 7.3 m-85 -97.84 23.62 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 65' ' ' PRO . 4.7 mm -103.87 157.81 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -148.25 158.94 44.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.3 tttp -122.82 129.4 51.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -60.47 107.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.09 -51.26 64.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.9 p -176.95 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.43 156.7 32.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 136.21 20.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.9 t 58.81 162.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.1 m 70.43 -66.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -98.89 147.18 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 25.9 p90 -128.97 154.45 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -65.5 140.66 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 70' ' ' ARG . 10.3 t -72.34 -49.31 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.59 171.62 12.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 33' ' ' SER . 83.0 m -71.92 109.15 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -103.23 159.22 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.1 144.9 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -96.51 130.65 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.32 -23.69 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.66 164.33 16.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.51 18.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -79.39 -24.81 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CD ' ' CH2' ' A' ' 52' ' ' TRP . 52.6 mt-10 -94.21 160.47 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 57' ' ' VAL . 3.5 tp -122.98 145.84 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.2 p -92.36 132.02 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.06 160.93 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 21' ' ' THR . 0.3 OUTLIER -103.26 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -77.93 130.48 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 74.96 9.81 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -78.17 127.95 33.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -75.08 145.19 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -153.08 134.29 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.676 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -84.77 109.3 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 5.4 mm -69.16 103.52 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.0 mt -70.33 -54.46 12.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 18.2 m-85 -123.4 27.17 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 153.52 29.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.615 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.56 -168.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.416 HG23 HG23 ' A' ' 47' ' ' THR . 26.7 m -69.32 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HG23 ' A' ' 46' ' ' VAL . 2.8 p -96.9 40.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 42.04 42.48 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.45 111.5 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p -76.88 -9.16 58.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.91 -32.83 74.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.452 ' CH2' ' CD ' ' A' ' 29' ' ' GLU . 95.4 m95 -103.99 128.03 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.4 m0 -113.51 144.29 43.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 108.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 tp -91.98 123.25 35.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -128.88 151.06 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.3 tt0 -126.32 117.35 22.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 30' ' ' LEU . 78.7 t -93.44 -84.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.54 55.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.73 -31.17 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -73.19 106.82 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 8.6 mttt -99.87 137.05 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.93 148.07 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.615 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 3.5 m-85 -69.07 129.19 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -118.51 161.66 34.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 142.72 28.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.421 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 96.0 p -81.5 -4.35 55.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -21.9 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.438 ' C ' HG23 ' A' ' 19' ' ' VAL . 7.4 m-85 -103.2 35.45 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -113.35 154.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.835 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.9 154.16 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.599 HG21 ' HE3' ' A' ' 37' ' ' LYS . 12.5 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ARG . 6.7 m-85 -120.19 149.71 41.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 42.6 p90 -130.44 158.54 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -69.88 124.97 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ARG . 5.5 t -66.29 -49.47 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -122.14 156.5 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 33' ' ' SER . 25.9 m -68.49 112.59 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -102.35 157.67 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -127.46 140.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.95 134.34 39.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -112.3 164.03 16.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.06 17.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.1 -21.83 18.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 52' ' ' TRP . 27.3 mt-10 -96.54 141.74 29.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -107.55 135.97 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.4 p -84.08 127.67 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.84 143.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.609 ' HA ' HG23 ' A' ' 21' ' ' THR . 14.4 m -87.39 176.38 7.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.53 140.3 41.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.55 20.79 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -88.2 125.43 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.599 ' HE3' HG21 ' A' ' 15' ' ' VAL . 42.7 mtpt -69.56 142.0 53.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -150.38 140.11 21.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 106.91 18.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 38' ' ' LEU . 7.1 mm -69.57 98.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.0 mt -66.36 -70.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.05 156.69 28.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 92.0 m-85 -102.21 12.53 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -152.09 140.34 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 1.2 p30 -65.96 174.03 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 47' ' ' THR . 1.2 t -56.0 -54.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.538 ' N ' HG12 ' A' ' 46' ' ' VAL . 67.7 p -48.6 -34.23 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.36 81.76 1.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 48.6 t30 -165.31 131.22 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.8 p -82.3 50.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.45 -27.35 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 29' ' ' GLU . 92.1 m95 -131.76 114.19 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 37.0 m0 -90.39 143.65 26.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 41' ' ' LEU . 20.3 tp -90.96 104.12 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.6 144.4 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.68 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.1 tt0 -122.23 93.92 4.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' VAL . 47.3 t -77.0 84.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.23 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.16 16.96 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 11.3 mttm -112.29 120.22 41.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -105.19 149.87 25.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . 178.13 149.84 8.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -80.64 122.22 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.863 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -121.68 163.25 32.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 144.09 29.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 95.1 p -82.51 -1.8 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -21.17 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -100.8 26.24 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.4 mm -108.4 157.98 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -147.09 161.0 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 10.9 m-85 -126.64 150.16 49.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 51.7 p90 -131.2 154.5 48.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -65.23 126.42 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 70' ' ' ARG . 7.3 t -69.77 -42.42 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.71 164.27 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -72.01 127.26 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 64.4 t80 -122.46 163.81 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.79 149.43 37.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.35 142.41 30.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 10.85 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.24 164.89 32.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 1.55 7.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -127.44 39.59 3.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 50.1 mt-10 -152.5 138.2 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -110.43 143.73 40.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 p -91.16 140.18 30.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 5.3 m -146.19 152.86 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 m -98.16 179.97 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.25 147.44 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 55.51 27.13 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -96.34 123.78 40.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.74 149.71 48.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.635 HD13 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -158.7 125.46 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 106.0 9.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.635 HD11 HD13 ' A' ' 38' ' ' LEU . 9.3 mm -67.9 98.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.73 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -115.91 -173.58 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -131.82 10.38 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -156.72 142.64 17.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -65.94 -169.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.733 HG13 ' OH ' ' A' ' 63' ' ' TYR . 16.6 m -79.66 -27.21 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.3 t -86.59 8.94 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.2 40.2 34.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -103.34 111.03 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -78.56 -15.03 59.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -65.69 -19.81 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -117.97 135.09 54.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.024 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -115.76 148.04 40.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.022 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 61' ' ' LYS . 32.6 tp -96.18 114.39 26.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.71 154.64 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -126.63 105.41 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.25 104.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.9 m-20 63.42 71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 37.35 50.79 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.112 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 54' ' ' LEU . 49.8 mtmt -90.59 146.5 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -171.23 150.36 13.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.733 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.7 m-85 -83.18 118.77 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.88 163.02 22.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 142.2 27.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 97.7 p -79.89 -5.95 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.54 -19.15 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.487 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-85 -103.36 30.09 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -113.27 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.46 159.16 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.527 ' HB3' HG22 ' A' ' 69' ' ' ILE . 15.2 m-85 -119.58 156.22 30.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 33.2 p90 -141.83 145.31 34.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -54.18 118.07 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.669 HG22 ' CG ' ' A' ' 70' ' ' ARG . 42.9 t -55.6 -45.71 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.486 ' CE2' HG12 ' A' ' 19' ' ' VAL . 37.9 m-85 -134.24 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -67.97 115.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -111.42 162.37 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 143.63 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.79 116.24 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -15.81 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.96 164.25 20.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.25 14.38 19.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.539 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 32.4 mt-10 -114.34 157.89 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 57' ' ' VAL . 1.9 tp -123.04 137.24 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.6 p -86.47 127.38 34.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.8 148.99 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 15.5 m -88.45 177.47 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.68 148.92 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.9 m-80 51.81 30.73 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 44.8 tp60 -99.76 120.17 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 149.02 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -150.04 147.88 28.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 110.29 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.6 mm -71.73 110.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.6 mt -80.44 -64.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.0 166.22 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -113.98 20.96 15.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -148.68 -168.37 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -136.05 170.85 15.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 46' ' ' VAL . 1.2 m -49.15 -37.57 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 p -68.65 -31.48 70.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 96.61 57.7 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 50.1 t-20 -139.06 132.72 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -82.94 50.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.38 -36.59 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ3' ' OE2' ' A' ' 29' ' ' GLU . 97.7 m95 -111.48 106.93 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -87.49 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 41' ' ' LEU . 16.3 tp -98.38 102.34 14.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.71 140.03 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.2 tt0 -116.9 118.53 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 HD21 ' A' ' 30' ' ' LEU . 70.9 t -92.65 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.628 ' N ' HG12 ' A' ' 57' ' ' VAL . 20.1 m120 -91.7 52.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.76 -32.51 4.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.501 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.14 119.14 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -104.31 137.12 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -162.01 149.71 18.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -72.9 128.77 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -124.27 160.38 52.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.1 p -79.1 -6.27 56.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -21.7 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' O ' HD13 ' A' ' 69' ' ' ILE . 5.2 m-85 -101.04 39.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 1.7 mm -125.02 120.68 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.669 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -127.39 151.11 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 38' ' ' LEU . 16.4 m-85 -111.64 151.54 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 20.1 p90 -133.38 157.05 46.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.07 136.25 57.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.9 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.2 t -68.28 -51.49 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -122.98 175.43 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -75.07 102.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -97.53 151.38 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.6 ttpm? -127.76 142.87 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 128.93 35.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -108.79 -20.69 12.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -122.28 167.26 14.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.42 13.21 20.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.36 167.59 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 60' ' ' LYS . 2.6 tp -126.1 137.1 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.0 p -96.19 118.99 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG13 ' HG ' ' A' ' 30' ' ' LEU . 14.5 m -139.72 142.26 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -82.83 -176.13 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 146.99 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 50.35 27.73 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 36' ' ' GLN . 17.0 tp60 -86.6 127.97 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -69.01 143.17 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -151.95 148.09 27.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.48 106.83 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 38' ' ' LEU . 7.7 mm -69.86 114.16 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.45 -65.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.96 142.75 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 97.3 m-85 -87.75 39.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -158.48 176.28 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -97.95 -88.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.0 m -80.07 52.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 46' ' ' VAL . 14.6 t 49.34 35.82 8.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.78 -97.75 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -40.29 128.57 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.1 p -97.31 49.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.66 -39.94 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -111.96 144.39 41.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 107.962 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.644 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 49.9 m0 -112.42 135.37 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -83.99 108.28 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.22 139.57 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 42.5 tt0 -123.61 96.57 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.521 HG12 HD11 ' A' ' 30' ' ' LEU . 7.4 p -123.19 135.79 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.3 29.58 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.96 23.67 66.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.751 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttm -121.22 111.13 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 4.9 mtmm -88.28 155.92 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.86 156.58 13.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 21.9 m-85 -87.1 115.37 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.931 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -105.99 155.71 37.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.425 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 90.0 p -71.98 -16.51 62.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.25 -21.07 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 17.7 m-85 -102.53 38.63 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CZ3' ' A' ' 53' ' ' TRP . 7.3 mm -118.45 154.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.9 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.44 154.66 41.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.536 HG23 ' HE3' ' A' ' 37' ' ' LYS . 7.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 13.0 m-85 -130.7 147.29 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.5 p90 -128.03 156.66 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -65.89 127.8 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.642 HG22 ' CG ' ' A' ' 70' ' ' ARG . 6.1 t -72.91 -42.31 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -126.52 168.84 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 33' ' ' SER . 88.3 m -79.88 104.75 10.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 78.9 t80 -97.37 164.27 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 23.0 tttt -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 122.73 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -107.43 -25.39 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.414 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -110.15 164.25 15.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -119.36 22.85 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 68.7 mt-10 -126.35 145.49 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -111.0 140.32 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -90.12 132.38 35.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 16.4 m -133.96 167.34 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -110.32 172.17 7.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.37 130.32 36.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 4.8 m-20 83.57 -6.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.829 ' NE2' HD23 ' A' ' 38' ' ' LEU . 1.5 tt0 -67.81 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HE3' HG23 ' A' ' 15' ' ' VAL . 5.4 ttpt -72.68 151.83 42.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.829 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -158.27 141.46 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 106.1 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.3 mm -66.17 90.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.1 mt -56.94 -66.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -123.2 -178.89 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.595 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.0 m-85 -122.85 32.36 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -153.35 -169.96 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 7.2 p30 -147.08 -175.25 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -37.2 -75.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.566 ' H ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -37.66 -46.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.33 -16.63 9.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 21.2 p30 -46.01 170.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.8 p -120.33 27.38 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 -9.46 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 75.7 m95 -128.47 139.41 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.595 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.7 m0 -116.59 143.89 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 41' ' ' LEU . 36.7 tp -90.28 96.25 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -97.77 139.53 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.5 tt0 -120.19 115.27 23.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 58' ' ' ASN . 54.5 t -85.94 -102.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.702 ' N ' HG12 ' A' ' 57' ' ' VAL . 19.8 m-20 -102.04 60.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.11 -30.81 5.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -68.11 110.42 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.14 136.84 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -165.08 154.67 25.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 10.7 m-85 -79.64 127.59 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.57 163.61 33.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.861 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 144.11 30.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.8 p -81.91 -2.47 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.87 -20.69 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 6.6 m-85 -99.95 23.71 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.7 mm -107.72 158.98 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.642 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -145.47 156.86 43.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 69' ' ' ILE . 9.8 m-85 -106.41 153.59 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 38.3 p90 -138.19 153.2 49.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.19 130.61 46.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.8 t -70.21 -47.15 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.54 158.24 30.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 3.1 m -67.72 106.33 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 88.3 t80 -108.13 154.83 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.24 49.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -75.25 171.88 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 1.3 mpp_? -166.59 -36.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -97.0 160.56 28.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 42.51 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 26' ' ' ASN . 5.8 m120 -175.76 33.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.48 142.35 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -109.71 141.51 42.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 138.73 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 11.9 m -146.38 133.82 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -79.85 -178.09 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.81 137.47 36.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 63.9 13.02 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -78.56 122.85 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -59.34 150.71 25.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -162.59 126.23 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.46 112.59 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 38' ' ' LEU . 8.9 mm -75.31 103.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -70.14 -64.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.06 152.67 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 83.4 m-85 -96.44 13.68 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 145.15 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLY . 3.5 p30 -83.83 171.18 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -48.61 -40.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -56.4 -25.85 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 101.55 -9.26 57.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.59 123.82 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.9 p -87.36 44.26 1.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -113.81 -39.01 4.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.08 127.52 47.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 107.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.604 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 45.1 m0 -104.38 134.03 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 61' ' ' LYS . 17.0 tp -78.73 107.75 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.92 144.54 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.8 tt0 -124.64 108.96 12.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -117.62 110.92 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.2 m-20 58.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 36.84 56.51 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -154.25 106.36 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB3' HD11 ' A' ' 54' ' ' LEU . 12.1 mttm -86.2 150.5 24.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.27 152.61 17.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.49 123.73 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -122.84 162.85 36.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.247 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.841 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.02 143.63 29.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.4 p -79.23 -3.34 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -90.47 -22.17 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.1 m-85 -101.7 34.51 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.761 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.1 mm -115.72 151.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.605 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.9 159.29 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 7.2 m-85 -118.43 147.95 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 49.1 p90 -129.14 154.48 46.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.51 136.97 57.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG3' ' A' ' 70' ' ' ARG . 3.4 t -85.02 -52.65 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.07 150.99 33.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -62.72 105.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB3' HG22 ' A' ' 32' ' ' VAL . 53.8 t80 -92.6 166.42 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -143.9 146.14 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 119.85 22.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -102.7 -24.54 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -120.13 164.11 24.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.09 9.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -117.21 26.47 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 25.0 mt-10 -133.76 153.82 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -114.99 141.98 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -89.59 135.05 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 22' ' ' PHE . 35.6 m -137.65 168.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 58.2 m -112.91 178.72 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 144.88 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.2 m-20 57.92 26.35 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -94.28 124.47 38.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.24 148.92 49.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -161.98 130.9 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 107.87 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 38' ' ' LEU . 7.3 mm -69.35 99.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.61 -69.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -119.55 179.22 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 91.4 m-85 -127.42 28.39 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -169.45 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 1.3 p30 -141.0 170.45 15.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 47' ' ' THR . 8.9 m -41.56 -55.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.502 ' H ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -52.73 -40.74 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 104.89 59.27 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 51' ' ' GLU . 41.2 t-20 -138.02 134.91 35.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 30.3 p -83.21 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.609 ' CD ' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -114.18 -25.54 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.609 ' CD1' ' CD ' ' A' ' 51' ' ' GLU . 97.3 m95 -123.0 109.14 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 38.3 m0 -87.85 143.68 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -93.72 104.48 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.63 142.8 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.81 115.85 25.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 58' ' ' ASN . 76.5 t -91.35 -98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.588 ' N ' HG12 ' A' ' 57' ' ' VAL . 26.4 m-80 -89.53 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.82 -28.06 7.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.835 ' O ' HD13 ' A' ' 30' ' ' LEU . 69.3 mttt -70.18 104.12 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -84.15 139.25 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -161.84 146.83 12.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -72.36 118.72 15.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.09 164.36 15.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.866 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.91 145.34 31.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.6 p -86.56 5.8 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.51 -28.82 13.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 18.0 m-30 -97.53 43.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.837 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.5 mm -120.77 154.58 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.98 156.82 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.411 ' HB3' HG22 ' A' ' 69' ' ' ILE . 12.3 m-85 -104.79 152.43 22.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -134.46 156.47 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -72.7 76.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.759 HG13 ' CD2' ' A' ' 20' ' ' TYR . 7.1 p -39.78 -30.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.759 ' CD2' HG13 ' A' ' 19' ' ' VAL . 63.1 m-85 -127.77 140.84 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.43 137.58 58.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 65' ' ' PRO . 24.4 t80 -135.72 151.94 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.75 141.83 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -84.96 92.37 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -77.29 -19.42 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -117.77 163.36 24.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.01 21.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.76 -16.94 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -86.18 148.13 25.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 55' ' ' ALA . 1.9 tp -106.91 140.46 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 p -95.13 125.13 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.647 HG12 HG21 ' A' ' 57' ' ' VAL . 3.1 m -140.29 133.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.3 m -75.3 -176.95 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -76.3 155.94 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER 41.78 34.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -101.28 121.98 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 146.5 48.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -153.39 148.9 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 14.0 tppt? -91.14 115.81 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 38' ' ' LEU . 4.7 mm -82.66 88.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.828 HD12 ' HG ' ' A' ' 54' ' ' LEU . 71.3 mt -59.47 -65.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.23 179.62 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 56.6 m-85 -126.29 25.71 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -143.07 -165.88 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.77 173.57 11.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 47' ' ' THR . 10.1 m -42.83 -58.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.597 ' H ' HG23 ' A' ' 46' ' ' VAL . 53.9 p -50.38 -41.54 52.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.29 32.93 2.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -103.34 135.88 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 p -85.11 47.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -116.67 -36.61 3.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 95.5 m95 -107.75 125.53 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 41.9 m0 -102.26 154.28 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.828 ' HG ' HD12 ' A' ' 41' ' ' LEU . 10.2 tp -96.45 98.61 10.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -88.73 141.33 28.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HB2' HD11 ' A' ' 41' ' ' LEU . 25.2 tt0 -125.19 97.85 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 32' ' ' VAL . 93.2 t -92.86 76.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 54.16 69.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.78 -50.31 2.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.1 mmtp -54.33 104.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.74 143.12 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.92 160.21 24.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.543 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.0 m-85 -84.04 138.28 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.749 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -136.8 169.44 13.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.749 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.0 135.27 18.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 83.8 p -73.94 -4.63 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -88.07 -22.39 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.589 ' CD2' ' HB2' ' A' ' 20' ' ' TYR . 3.0 m-85 -93.48 8.41 40.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 ' O ' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -108.0 103.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -118.76 138.65 52.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 tttm . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.663 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.0 m-85 -100.27 153.51 19.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 32.2 p90 -137.51 155.73 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -71.95 139.82 48.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.836 HG22 ' HG3' ' A' ' 70' ' ' ARG . 1.8 t -83.63 -48.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -118.36 141.42 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 34' ' ' ALA . 15.9 m -58.16 103.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 46.9 t80 -86.95 166.46 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -138.64 126.77 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.9 131.29 41.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.05 -22.87 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -121.48 164.5 24.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -98.29 -16.42 19.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' CD ' ' OD1' ' A' ' 26' ' ' ASN . 95.8 mt-10 -96.97 142.66 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.0 p -86.15 133.22 33.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.8 m -136.49 148.02 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -92.87 168.69 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -68.92 142.19 54.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 60.92 23.83 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 54.1 tp60 -86.08 157.29 20.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.862 ' C ' HD13 ' A' ' 38' ' ' LEU . 7.3 tttt -99.66 133.07 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.862 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -140.47 154.82 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 13.0 tppt? -104.7 114.04 28.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.591 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -77.36 92.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 56' ' ' GLU . 88.4 mt -66.92 -60.99 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.07 157.63 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.38 29.11 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -173.66 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.834 ' OD2' HG22 ' A' ' 47' ' ' THR . 55.6 p30 -133.36 -169.19 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.78 HG13 ' OH ' ' A' ' 63' ' ' TYR . 11.4 m -66.25 -35.97 76.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.834 HG22 ' OD2' ' A' ' 45' ' ' ASP . 14.9 t -91.1 31.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.73 63.1 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 35.0 t-20 -130.5 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -59.9 -22.28 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -51.6 -29.09 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -113.3 127.95 56.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -111.43 143.24 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 41' ' ' LEU . 8.2 tp -86.58 101.27 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -94.37 150.26 20.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HB2' HD11 ' A' ' 41' ' ' LEU . 32.7 tt0 -134.43 104.86 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 57' ' ' VAL . 54.5 t -100.78 74.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 62.63 69.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.65 -50.62 4.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -55.53 109.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 5.0 mtmp? -111.25 159.13 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.3 163.37 24.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.088 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.78 ' OH ' HG13 ' A' ' 46' ' ' VAL . 14.2 m-85 -91.14 126.65 36.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.59 167.0 13.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.865 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.01 139.97 24.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.449 1.763 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.404 ' HA ' HG13 ' A' ' 69' ' ' ILE . 88.2 p -80.94 1.25 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -92.83 -33.93 14.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 19.8 m-30 -93.78 41.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -116.92 163.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.836 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -162.31 154.58 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -138.38 147.29 43.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 9.2 p90 -131.26 149.56 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -57.2 130.32 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.891 HG22 ' CG ' ' A' ' 70' ' ' ARG . 32.2 t -61.83 -53.09 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -124.98 165.75 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 33' ' ' SER . 94.7 m -65.33 110.28 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -104.19 151.03 23.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -123.21 136.34 54.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 122.44 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.8 -22.3 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -106.51 165.93 12.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.83 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -83.43 -37.19 23.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.19 149.95 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -113.23 135.34 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -85.07 127.85 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 38' ' ' LEU . 19.7 m -138.82 129.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.598 ' HA ' HG23 ' A' ' 21' ' ' THR . 2.2 m -74.06 -176.51 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -77.21 138.35 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 58.82 23.43 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.5 tp60 -88.0 119.38 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 150.19 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.832 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -155.14 148.96 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 109.08 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD12 ' A' ' 38' ' ' LEU . 5.1 mm -73.97 108.92 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.9 mt -75.2 -61.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.09 153.86 46.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.33 28.31 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 3.2 ptpt -151.6 153.95 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 10.1 t0 -72.29 -155.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 63' ' ' TYR . 12.0 m -78.17 -27.91 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 49' ' ' ASN . 11.7 t -98.33 44.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.85 28.12 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.604 ' HB2' HG23 ' A' ' 47' ' ' THR . 45.6 t30 -89.84 127.43 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 p -82.49 50.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -118.93 -38.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -113.04 143.41 44.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.658 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 41.0 m0 -112.97 132.36 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 41' ' ' LEU . 54.5 tp -79.08 96.04 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -92.62 147.81 22.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD11 ' A' ' 41' ' ' LEU . 35.1 tt0 -138.52 94.35 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 30' ' ' LEU . 11.3 p -119.82 148.65 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 60.59 20.86 10.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.62 80.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.166 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.803 ' O ' HD13 ' A' ' 30' ' ' LEU . 9.9 mttt -112.96 108.36 17.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 25.1 mtpt -78.85 152.08 31.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 54' ' ' LEU . . . 178.54 163.12 29.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 39.5 m-85 -100.91 124.38 46.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.852 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.4 164.1 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.852 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.01 144.55 30.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.45 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.7 p -81.71 -1.37 46.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -91.07 -24.64 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.444 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.3 m-85 -102.22 35.23 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 65' ' ' PRO . 7.3 mm -111.16 152.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.73 154.19 42.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 tttp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.681 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-85 -105.97 156.93 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 30.7 p90 -135.21 155.51 50.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -69.98 137.03 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.4 t -71.46 -48.28 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.503 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 6.8 m-85 -132.1 154.99 48.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -57.07 102.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 55.8 t80 -86.91 168.74 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -141.34 135.54 30.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.39 136.58 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -113.34 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 164.32 16.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.15 9.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -105.55 -23.38 12.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 79.4 mt-10 -87.43 141.13 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -107.54 140.9 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.9 p -84.49 136.73 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.514 HG12 HG21 ' A' ' 57' ' ' VAL . 3.3 m -133.62 146.68 31.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -85.95 171.63 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -78.05 141.21 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 63.53 14.3 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 30.3 tp60 -81.27 155.99 25.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.883 ' C ' HD13 ' A' ' 38' ' ' LEU . 8.3 mtpm? -98.35 135.19 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -136.2 133.54 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.741 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.1 112.01 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 43' ' ' PHE . 4.8 mm -72.1 111.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.741 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -83.21 -58.4 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -134.86 143.47 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 40' ' ' ILE . 88.5 m-85 -92.03 27.01 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 148.48 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 8.3 p30 -102.36 173.03 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 47' ' ' THR . 16.2 m -45.89 -48.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 46' ' ' VAL . 57.5 p -51.53 -33.01 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.15 66.7 1.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 33.4 t30 -128.32 8.74 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ASN . 11.5 p 37.78 34.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -113.26 -31.72 6.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 98.4 m95 -105.6 107.85 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.426 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.4 m0 -90.0 130.29 36.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.491 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.2 tp -78.8 101.61 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.631 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -107.24 142.81 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.738 ' HB2' HD11 ' A' ' 41' ' ' LEU . 53.8 tt0 -123.27 117.96 26.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 58' ' ' ASN . 73.2 t -103.47 -103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -73.26 80.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 36.81 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 1.7 mttm -135.91 130.05 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 7.8 mttp -99.68 148.01 24.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -166.25 147.86 12.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -78.87 109.58 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.859 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -103.59 162.37 20.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.859 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -81.33 -3.03 51.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -21.09 22.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.473 ' C ' HD13 ' A' ' 69' ' ' ILE . 17.9 m-85 -103.07 35.65 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -117.69 146.93 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG2' HG22 ' A' ' 19' ' ' VAL . 1.6 mmp_? -138.46 154.33 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 5.7 m-85 -114.25 150.24 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 7.0 p90 -137.5 159.17 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -74.4 126.32 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.79 HG22 ' HG2' ' A' ' 70' ' ' ARG . 17.3 t -55.43 -57.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -115.71 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 33' ' ' SER . 20.6 m -85.07 108.56 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 79.2 t80 -103.58 162.34 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.9 tptt -140.85 151.48 44.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.42 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.01 -25.53 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.262 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -117.49 161.34 34.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.3 3.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -166.42 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.52 147.69 44.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -105.79 136.84 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 137.09 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' PHE . 35.8 m -147.29 129.35 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 21' ' ' THR . 62.7 m -75.1 -173.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.85 139.28 37.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 60.99 20.67 11.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -83.31 114.09 21.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.27 144.65 19.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -154.01 134.3 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.76 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -88.08 110.81 20.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.432 HD11 HD13 ' A' ' 38' ' ' LEU . 5.1 mm -70.36 107.91 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 56' ' ' GLU . 18.3 mt -75.47 -68.95 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.53 167.94 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 94.2 m-85 -112.76 31.34 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 -170.61 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.855 ' OD2' HG22 ' A' ' 47' ' ' THR . 51.9 p30 -132.18 -170.01 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' OH ' ' A' ' 63' ' ' TYR . 3.4 m -66.1 -36.51 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.855 HG22 ' OD2' ' A' ' 45' ' ' ASP . 12.5 t -90.39 32.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.48 61.69 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.5 t-20 -125.76 127.94 46.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.8 p -89.8 39.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.91 -22.95 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.501 ' CE3' ' C ' ' A' ' 64' ' ' VAL . 56.5 m95 -133.52 114.75 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 50.4 m0 -86.82 173.5 9.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.9 tp -113.97 104.88 12.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.804 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -105.87 140.8 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.92 ' HB2' HD11 ' A' ' 41' ' ' LEU . 34.1 tt0 -118.49 97.79 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 HD21 ' A' ' 30' ' ' LEU . 32.8 m -115.57 135.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 57.28 55.36 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.96 35.03 1.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -129.61 122.39 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -96.39 139.15 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.1 138.59 4.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' HG13 ' A' ' 46' ' ' VAL . 5.0 m-85 -69.91 116.02 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -101.48 156.84 34.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 98.5 p -53.65 -19.78 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.93 -17.8 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 8.0 m-85 -112.02 41.2 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 30.8 mm -113.49 162.69 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.79 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -165.82 156.95 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG11 ' HE3' ' A' ' 37' ' ' LYS . 18.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.672 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.0 m-85 -115.1 156.27 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 33.3 p90 -136.23 146.28 46.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.633 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -52.58 123.77 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 70' ' ' ARG . 12.9 t -68.8 -23.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 56.1 m-85 -153.13 153.58 33.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.14 120.2 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 54.3 t80 -120.11 163.05 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 53.6 tttm -134.24 146.06 49.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.64 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -101.14 -29.86 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -113.25 164.3 16.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -103.45 -20.5 14.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.7 mt-10 -81.76 171.95 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD21 HG23 ' A' ' 57' ' ' VAL . 1.8 tp -136.49 141.94 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.9 p -85.56 132.11 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.76 124.0 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -70.41 178.27 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.75 144.35 33.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 61.89 13.75 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 34.4 tp60 -78.62 152.64 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.944 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.6 mtpt -98.71 135.93 39.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -134.92 145.75 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 105.88 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.3 mm -66.87 107.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 54' ' ' LEU . 76.6 mt -83.05 -58.37 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.9 160.58 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 40' ' ' ILE . 56.2 m-85 -109.76 31.41 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -158.73 170.3 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 42.2 p30 -108.63 -176.1 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.658 HG13 ' OH ' ' A' ' 63' ' ' TYR . 8.9 m -62.49 -20.54 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.417 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 1.5 p -99.61 33.73 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.76 45.76 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 19.1 t30 -113.51 122.38 47.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -82.67 50.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.96 -35.6 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 83.9 m95 -109.69 131.3 55.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.2 m0 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.1 tp -80.8 94.39 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -95.8 149.44 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 41' ' ' LEU . 10.2 tt0 -128.54 119.36 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.623 HG12 ' N ' ' A' ' 58' ' ' ASN . 58.8 t -93.19 -98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.623 ' N ' HG12 ' A' ' 57' ' ' VAL . 24.2 m-20 -103.51 55.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.08 -33.21 4.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -67.02 108.98 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 14.3 mttp -102.18 137.98 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -164.85 154.51 25.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.658 ' OH ' HG13 ' A' ' 46' ' ' VAL . 6.7 m-85 -76.74 121.19 22.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.16 163.95 18.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 143.99 29.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 91.9 p -82.45 -13.74 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -80.96 -17.23 51.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.422 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.0 m-85 -105.0 30.4 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.7 mm -115.69 136.63 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 1.014 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.2 tpt180 -122.58 153.64 39.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tttp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' LEU . 23.5 m-85 -118.54 148.75 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 45.7 p90 -130.36 153.15 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -66.87 132.83 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.68 HG22 ' CG ' ' A' ' 70' ' ' ARG . 15.7 t -72.73 -48.3 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.47 148.2 44.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.6 m -58.8 101.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 76.9 t80 -93.42 171.27 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -149.78 147.51 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -76.78 173.31 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.518 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -165.4 -36.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -98.06 165.25 15.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.23 3.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -174.39 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -62.14 144.59 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -116.5 145.22 43.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -86.79 129.19 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 57' ' ' VAL . 16.1 m -135.66 149.14 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -88.73 174.95 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -77.55 140.81 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.7 m-20 58.74 24.2 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -93.49 122.93 36.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -65.79 144.55 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.19 107.66 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.4 mm -66.39 120.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.084 ' CB ' HD13 ' A' ' 54' ' ' LEU . 25.8 mt -91.42 -28.56 17.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 20.3 mt-10 -162.51 171.23 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.601 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 50.8 m-85 -117.75 14.64 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -161.7 130.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.551 ' CG ' HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -63.52 172.14 2.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' GLY . 9.3 m -47.23 -52.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' CG ' ' A' ' 45' ' ' ASP . 1.5 t -41.69 -27.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' VAL . . . 105.25 -23.14 31.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 47' ' ' THR . 37.0 t-20 -53.3 135.97 37.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 44' ' ' LYS . 57.8 p -96.02 41.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.06 -27.96 11.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.28 141.59 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 26.8 m0 -114.08 140.69 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.084 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -81.04 123.92 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.438 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.02 135.35 48.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -125.33 108.69 11.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 30' ' ' LEU . 83.4 t -88.27 -106.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.664 ' N ' HG12 ' A' ' 57' ' ' VAL . 72.1 m-20 -79.16 87.29 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.24 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' ASN . 4.2 mttm -127.71 107.6 10.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -78.97 150.58 31.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -174.54 153.44 16.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.4 m-85 -94.03 135.3 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.65 165.86 21.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.731 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.1 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.7 p -81.81 5.86 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 -24.17 14.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.07 28.82 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.4 mm -107.04 158.97 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.68 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -149.0 160.28 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.8 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG1' ' HE2' ' A' ' 37' ' ' LYS . 57.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.79 148.54 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 39.0 p90 -128.34 149.54 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -61.98 130.93 47.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' CG ' ' A' ' 70' ' ' ARG . 11.3 t -64.68 -44.76 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -133.14 164.13 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -65.98 106.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 67.8 t80 -100.08 150.58 22.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 144.43 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -73.78 171.83 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -164.42 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -99.7 164.85 15.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 5.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -131.77 34.93 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 26' ' ' ASN . 2.9 mt-10 -131.53 159.5 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HG23 ' A' ' 57' ' ' VAL . 1.4 tp -126.36 148.78 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -97.25 122.34 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 57' ' ' VAL . 19.0 m -129.18 174.55 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -114.44 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.11 136.48 37.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.65 17.26 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -86.72 119.06 26.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 15' ' ' VAL . 2.2 ttmt -60.51 149.54 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -152.2 133.32 14.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 108.45 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.2 mm -66.38 118.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.072 ' CB ' HD13 ' A' ' 54' ' ' LEU . 20.3 mt -89.65 -30.67 17.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 24.5 mt-10 -161.92 171.46 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 62.1 m-85 -117.8 11.05 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 134.01 9.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.82 173.95 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 47' ' ' THR . 16.0 m -45.58 -57.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.54 ' H ' HG23 ' A' ' 46' ' ' VAL . 40.8 p -38.02 -35.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.57 -8.46 30.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.35 139.91 58.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -101.44 36.11 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.64 -24.32 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 75.7 m95 -118.27 144.59 45.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 28.1 m0 -116.64 146.18 42.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.072 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -86.39 126.54 34.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.89 142.41 50.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.4 tt0 -127.47 103.27 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.023 HG23 HD21 ' A' ' 30' ' ' LEU . 86.1 t -77.7 -106.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 57' ' ' VAL . 3.2 t-20 -83.82 50.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -26.37 7.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.875 ' O ' HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -68.78 105.27 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 mtmt -84.42 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.98 156.88 22.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.1 m-85 -90.49 135.36 33.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.24 166.44 15.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.832 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.97 143.45 29.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -77.63 -1.07 29.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.17 -20.7 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 7.7 m-85 -103.16 35.75 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.565 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.8 mm -117.17 155.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.822 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -147.55 149.88 33.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.06 150.45 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 41.0 p90 -136.45 152.2 50.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.94 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 70' ' ' ARG . 5.5 t -79.35 -39.5 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 41.6 m-85 -129.63 172.17 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 33' ' ' SER . 97.7 m -83.69 94.55 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 88.8 t80 -91.13 169.13 11.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 1.5 ttmt -149.98 143.04 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.31 129.91 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -111.24 -19.19 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.35 164.1 23.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -166.14 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.78 177.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.736 HD12 HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.59 152.96 50.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.625 ' N ' HD13 ' A' ' 30' ' ' LEU . 3.4 p -103.86 103.99 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG13 HD12 ' A' ' 30' ' ' LEU . 33.3 m -130.65 125.59 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.721 ' HA ' HG23 ' A' ' 21' ' ' THR . 71.9 m -75.54 -178.36 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.88 141.36 40.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 58.33 24.35 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -93.41 123.11 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -59.3 150.08 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -158.15 125.99 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.99 111.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.4 mm -70.07 108.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 39' ' ' LYS . 27.9 mt -78.99 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -120.8 -176.46 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 85.5 m-85 -131.72 38.28 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 154.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.514 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 17.3 p-10 -108.54 -174.91 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 47' ' ' THR . 22.8 m -48.32 -47.92 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 46' ' ' VAL . 81.0 p -51.5 -21.68 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 -26.7 15.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 48.3 t-20 -53.61 139.73 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 9.7 p -91.9 39.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . 2.7 mt-10 -107.85 -19.2 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -111.37 106.32 15.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.3 m0 -91.66 142.4 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 41' ' ' LEU . 17.7 tp -91.16 101.36 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.36 148.32 26.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -112.83 117.51 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 30' ' ' LEU . 14.0 t -137.7 136.86 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 m120 52.6 35.81 19.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.65 7.45 47.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -104.62 127.2 52.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 0.733 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -109.46 128.1 54.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.563 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -150.76 161.88 29.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 7.8 m-85 -82.31 108.23 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -102.99 160.49 26.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.99 146.1 32.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 87.7 p -80.51 -10.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.72 -21.27 34.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.485 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.5 m-85 -102.44 35.57 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 65' ' ' PRO . 5.3 mm -115.94 152.9 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.908 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.02 154.33 38.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.71 ' O ' HD22 ' A' ' 38' ' ' LEU . 10.8 m-85 -120.12 153.14 36.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 48.5 p90 -133.79 158.51 43.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -71.91 121.83 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 70' ' ' ARG . 4.5 t -63.91 -29.57 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 42.3 m-85 -141.99 160.26 40.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.3 m -68.3 113.96 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' NE ' ' A' ' 25' ' ' ARG . 78.2 t80 -111.24 128.07 55.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.9 mmtt -114.84 109.45 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' LYS . . . -27.52 138.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -117.31 -14.14 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -132.85 161.99 60.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.43 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.803 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -167.08 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.59 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.6 mt-10 -65.28 150.58 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -107.1 138.93 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 24' ' ' ALA . 18.9 m -85.95 119.43 26.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 15.6 m -119.54 116.37 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.06 174.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.92 127.73 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.7 m120 82.98 -2.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 7.8 tp60 -63.52 150.04 44.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.851 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.7 mtpm? -98.06 134.35 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.55 137.76 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.763 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -93.32 108.24 19.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.9 mm -64.03 113.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.939 HD11 ' HB2' ' A' ' 56' ' ' GLU . 26.6 mt -87.87 -62.52 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.28 156.5 38.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -106.06 32.26 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -153.36 -164.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -147.38 174.53 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.616 HG23 ' H ' ' A' ' 47' ' ' THR . 5.8 m -41.8 -60.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.616 ' H ' HG23 ' A' ' 46' ' ' VAL . 62.8 p -49.93 -34.99 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 102.39 30.19 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 53.0 t-20 -102.59 135.76 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p -86.26 45.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -111.45 -30.53 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 89.1 m95 -111.52 128.5 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.424 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.7 m0 -105.45 139.32 40.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -87.67 101.07 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.08 132.99 49.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.939 ' HB2' HD11 ' A' ' 41' ' ' LEU . 31.6 tt0 -108.15 109.04 20.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.744 ' CG2' HD11 ' A' ' 30' ' ' LEU . 7.1 m -130.76 134.31 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 61.16 44.24 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.8 34.85 22.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -131.58 122.28 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -95.5 132.38 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.66 140.44 6.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -68.41 142.48 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -138.91 163.24 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 144.6 30.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.457 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 86.5 p -84.12 -1.22 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.85 -19.5 21.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 6.3 m-85 -103.22 25.29 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.707 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.9 mm -107.2 164.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.62 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -156.46 160.2 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.325 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 7.0 ttpt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -102.35 146.43 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 31.5 p90 -128.3 150.37 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.2 143.84 56.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.786 HG22 ' HG3' ' A' ' 70' ' ' ARG . 2.6 t -92.18 -49.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -116.45 135.55 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -49.48 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' VAL . 46.5 t80 -87.73 163.28 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 135.02 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.48 108.34 19.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -90.05 -28.16 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.51 163.24 18.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.21 21.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -90.56 -22.65 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 81.9 mt-10 -87.46 143.1 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -103.89 129.88 51.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -80.99 138.65 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 38' ' ' LEU . 33.5 m -148.85 146.68 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -91.79 179.13 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.7 132.57 37.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' ALA . 40.7 m-20 68.88 16.04 8.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -86.15 113.98 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -60.32 138.93 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -146.97 141.68 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -82.3 122.84 28.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 14.1 mm -93.12 115.67 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.677 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.9 mp -87.24 -58.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -119.01 -177.83 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.621 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.1 m-85 -132.99 14.34 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 149.61 19.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.629 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -72.42 -169.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -39.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.43 ' H ' HG23 ' A' ' 47' ' ' THR . 32.0 p -59.04 -26.84 64.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.44 -26.61 9.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -50.1 129.83 21.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 p -89.19 37.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.12 -36.57 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 85.1 m95 -105.06 134.55 47.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.621 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 23.0 m0 -114.15 141.18 47.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -86.09 126.32 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -131.09 152.53 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.57 87.59 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.2 p -122.07 123.76 69.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.1 t-20 83.35 26.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.58 68.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.741 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttp -128.31 116.84 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.47 156.68 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.34 149.84 6.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 4.5 m-85 -76.03 135.09 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -119.83 161.44 38.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.924 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 139.29 23.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.9 p -81.44 5.0 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -99.02 -24.66 14.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 14.4 m-30 -104.59 47.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.9 mm -122.78 152.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.786 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.69 154.68 40.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 26.7 m-85 -120.89 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 43.3 p90 -133.75 156.27 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -68.42 131.09 44.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.78 HG22 ' HG2' ' A' ' 70' ' ' ARG . 12.5 t -67.53 -43.36 87.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 32.3 m-85 -127.45 172.48 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -77.81 101.56 6.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.438 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 65' ' ' PRO . 16.1 t80 -110.24 128.48 55.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -110.93 156.3 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -97.54 142.22 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 12.98 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.19 165.21 28.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.65 7.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -128.76 42.21 3.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -144.79 168.89 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -137.72 147.88 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -95.96 115.14 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 30' ' ' LEU . 17.7 m -131.18 117.99 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 24.9 m -67.93 179.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.83 143.96 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 48.34 29.62 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -93.01 119.48 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -63.46 138.07 58.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -142.25 139.16 31.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 106.7 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mm -68.15 101.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.22 -62.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -124.01 -177.24 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -130.8 24.49 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 149.41 11.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.697 ' CG ' HG22 ' A' ' 47' ' ' THR . 35.9 p30 -87.19 -173.33 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -69.55 -28.16 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.697 HG22 ' CG ' ' A' ' 45' ' ' ASP . 14.5 t -91.29 26.42 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.86 69.96 0.72 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 7.1 t-20 -141.55 100.4 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -63.72 -12.88 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.07 -21.91 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 83.2 m95 -124.93 137.57 54.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -114.12 146.64 40.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 62' ' ' GLY . 14.0 tp -93.12 108.92 20.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.08 156.62 20.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.5 tt0 -122.31 121.53 36.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 32' ' ' VAL . 77.4 t -114.21 74.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 61.19 68.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -55.52 3.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -54.6 125.66 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.695 ' C ' HD23 ' A' ' 30' ' ' LEU . 18.3 mtmt -134.84 124.88 25.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.861 ' N ' HD23 ' A' ' 30' ' ' LEU . . . -151.48 173.66 30.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.97 116.96 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -109.38 162.9 18.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.862 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.96 144.71 30.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.452 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 84.3 p -81.41 -0.79 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -93.39 -23.24 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 7.3 m-85 -97.84 23.62 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.7 mm -103.87 157.81 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.78 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.25 158.94 44.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.3 tttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 63.63 80.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 m -156.62 159.31 38.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.33 -164.82 34.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -108.03 151.94 25.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.67 143.73 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.92 130.01 1.08 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.3 m -110.51 -72.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.25 -54.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.01 170.26 14.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -145.52 166.49 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.22 150.5 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.117 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.77 94.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -145.84 123.89 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 72' ' ' THR . 71.8 t -137.44 92.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -98.89 147.18 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 25.9 p90 -128.97 154.45 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -65.5 140.66 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 70' ' ' ARG . 10.3 t -72.34 -49.31 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.59 171.62 12.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 33' ' ' SER . 83.0 m -71.92 109.15 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -103.23 159.22 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.1 144.9 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -96.51 130.65 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.32 -23.69 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.66 164.33 16.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.51 18.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -79.39 -24.81 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CD ' ' CH2' ' A' ' 52' ' ' TRP . 52.6 mt-10 -94.21 160.47 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 57' ' ' VAL . 3.5 tp -122.98 145.84 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.2 p -92.36 132.02 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.06 160.93 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 21' ' ' THR . 0.3 OUTLIER -103.26 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -77.93 130.48 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 74.96 9.81 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -78.17 127.95 33.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -75.08 145.19 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -153.08 134.29 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.676 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -84.77 109.3 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 5.4 mm -69.16 103.52 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.0 mt -70.33 -54.46 12.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 18.2 m-85 -123.4 27.17 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 153.52 29.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.615 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.56 -168.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG23 HG23 ' A' ' 47' ' ' THR . 26.7 m -69.32 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HG23 ' A' ' 46' ' ' VAL . 2.8 p -96.9 40.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 42.04 42.48 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.45 111.5 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p -76.88 -9.16 58.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.91 -32.83 74.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.452 ' CH2' ' CD ' ' A' ' 29' ' ' GLU . 95.4 m95 -103.99 128.03 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.4 m0 -113.51 144.29 43.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 108.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 tp -91.98 123.25 35.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -128.88 151.06 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.3 tt0 -126.32 117.35 22.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 30' ' ' LEU . 78.7 t -93.44 -84.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.54 55.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.73 -31.17 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -73.19 106.82 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 8.6 mttt -99.87 137.05 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.93 148.07 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.615 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 3.5 m-85 -69.07 129.19 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -118.51 161.66 34.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 142.72 28.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.421 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 96.0 p -81.5 -4.35 55.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -21.9 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.438 ' C ' HG23 ' A' ' 19' ' ' VAL . 7.4 m-85 -103.2 35.45 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -113.35 154.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.835 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.9 154.16 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.91 137.97 51.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 15' ' ' VAL . 65.6 p -74.44 102.78 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.421 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -138.36 76.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.78 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.89 153.38 0.85 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.33 2.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -67.77 164.12 20.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.13 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 66.52 133.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -171.92 150.75 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.16 149.04 21.04 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -157.4 133.92 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 0.724 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -172.92 169.54 4.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.053 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.72 -110.57 0.37 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 178.15 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -172.02 135.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.68 136.0 33.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.19 83.23 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.61 149.34 10.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.94 104.88 14.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -146.31 154.74 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.599 HG21 ' HE3' ' A' ' 37' ' ' LYS . 12.5 p -166.19 120.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ARG . 6.7 m-85 -120.19 149.71 41.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' HE2' ' HG1' ' A' ' 72' ' ' THR . 42.6 p90 -130.44 158.54 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -69.88 124.97 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ARG . 5.5 t -66.29 -49.47 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -122.14 156.5 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 33' ' ' SER . 25.9 m -68.49 112.59 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -102.35 157.67 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -127.46 140.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.95 134.34 39.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -112.3 164.03 16.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.06 17.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.1 -21.83 18.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 52' ' ' TRP . 27.3 mt-10 -96.54 141.74 29.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -107.55 135.97 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.4 p -84.08 127.67 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.84 143.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.609 ' HA ' HG23 ' A' ' 21' ' ' THR . 14.4 m -87.39 176.38 7.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.53 140.3 41.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.55 20.79 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -88.2 125.43 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.599 ' HE3' HG21 ' A' ' 15' ' ' VAL . 42.7 mtpt -69.56 142.0 53.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -150.38 140.11 21.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 106.91 18.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 38' ' ' LEU . 7.1 mm -69.57 98.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.0 mt -66.36 -70.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.05 156.69 28.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 92.0 m-85 -102.21 12.53 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -152.09 140.34 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 1.2 p30 -65.96 174.03 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 47' ' ' THR . 1.2 t -56.0 -54.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.538 ' N ' HG12 ' A' ' 46' ' ' VAL . 67.7 p -48.6 -34.23 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.36 81.76 1.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 48.6 t30 -165.31 131.22 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.8 p -82.3 50.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.45 -27.35 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 29' ' ' GLU . 92.1 m95 -131.76 114.19 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 37.0 m0 -90.39 143.65 26.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 41' ' ' LEU . 20.3 tp -90.96 104.12 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.6 144.4 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.68 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.1 tt0 -122.23 93.92 4.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' VAL . 47.3 t -77.0 84.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.23 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.16 16.96 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 11.3 mttm -112.29 120.22 41.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -105.19 149.87 25.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . 178.13 149.84 8.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -80.64 122.22 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.863 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -121.68 163.25 32.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 144.09 29.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 95.1 p -82.51 -1.8 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -21.17 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -100.8 26.24 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.4 mm -108.4 157.98 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -147.09 161.0 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.53 128.98 55.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.551 ' HG1' ' HE2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -107.57 169.12 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 72' ' ' THR . 8.9 mt-10 -118.33 133.48 55.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.9 p -112.57 160.51 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 151.78 23.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.0 4.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -43.57 140.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.84 128.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t 62.78 136.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 164.02 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.19 98.3 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -153.84 166.87 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.52 139.97 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.62 -158.92 14.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.5 m 63.16 128.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.51 84.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.55 123.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -114.83 138.7 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.42 164.33 25.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -98.77 92.99 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -163.79 151.62 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.517 ' CG1' HG22 ' A' ' 72' ' ' THR . 10.0 p -168.07 121.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 10.9 m-85 -126.64 150.16 49.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 51.7 p90 -131.2 154.5 48.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -65.23 126.42 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 70' ' ' ARG . 7.3 t -69.77 -42.42 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.71 164.27 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -72.01 127.26 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 64.4 t80 -122.46 163.81 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.79 149.43 37.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.35 142.41 30.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 10.85 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.24 164.89 32.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 1.55 7.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -127.44 39.59 3.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 50.1 mt-10 -152.5 138.2 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -110.43 143.73 40.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 p -91.16 140.18 30.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 5.3 m -146.19 152.86 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 m -98.16 179.97 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.25 147.44 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 55.51 27.13 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -96.34 123.78 40.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.74 149.71 48.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.635 HD13 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -158.7 125.46 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 106.0 9.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.635 HD11 HD13 ' A' ' 38' ' ' LEU . 9.3 mm -67.9 98.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.73 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -115.91 -173.58 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -131.82 10.38 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -156.72 142.64 17.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -65.94 -169.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.733 HG13 ' OH ' ' A' ' 63' ' ' TYR . 16.6 m -79.66 -27.21 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.3 t -86.59 8.94 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.2 40.2 34.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -103.34 111.03 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -78.56 -15.03 59.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -65.69 -19.81 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -117.97 135.09 54.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.024 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -115.76 148.04 40.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.022 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 61' ' ' LYS . 32.6 tp -96.18 114.39 26.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.71 154.64 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -126.63 105.41 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.25 104.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.9 m-20 63.42 71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 37.35 50.79 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.112 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 54' ' ' LEU . 49.8 mtmt -90.59 146.5 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -171.23 150.36 13.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.733 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.7 m-85 -83.18 118.77 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.88 163.02 22.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 142.2 27.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 97.7 p -79.89 -5.95 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.54 -19.15 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.487 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-85 -103.36 30.09 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -113.27 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.46 159.16 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -109.28 127.02 53.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.517 HG22 ' CG1' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -107.32 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 72' ' ' THR . 1.7 mt-10 -108.13 153.53 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.65 144.91 47.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.2 -150.9 20.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 87.89 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 p -162.91 159.1 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.11 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.939 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m 64.36 128.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 99.27 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 156.77 22.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -176.0 -58.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t 44.62 78.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.49 94.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 161.56 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -141.31 106.3 4.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.89 81.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -10.49 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.87 116.02 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -129.45 166.64 19.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -61.0 154.78 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.81 102.03 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' HB3' HG22 ' A' ' 69' ' ' ILE . 15.2 m-85 -119.58 156.22 30.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 33.2 p90 -141.83 145.31 34.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -54.18 118.07 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.669 HG22 ' CG ' ' A' ' 70' ' ' ARG . 42.9 t -55.6 -45.71 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.486 ' CE2' HG12 ' A' ' 19' ' ' VAL . 37.9 m-85 -134.24 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -67.97 115.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -111.42 162.37 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 143.63 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.79 116.24 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -15.81 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.96 164.25 20.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.25 14.38 19.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.539 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 32.4 mt-10 -114.34 157.89 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 57' ' ' VAL . 1.9 tp -123.04 137.24 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.6 p -86.47 127.38 34.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.8 148.99 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 15.5 m -88.45 177.47 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.68 148.92 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.9 m-80 51.81 30.73 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 44.8 tp60 -99.76 120.17 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 149.02 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -150.04 147.88 28.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 110.29 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.6 mm -71.73 110.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.6 mt -80.44 -64.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.0 166.22 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -113.98 20.96 15.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -148.68 -168.37 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -136.05 170.85 15.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 46' ' ' VAL . 1.2 m -49.15 -37.57 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 p -68.65 -31.48 70.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 96.61 57.7 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 50.1 t-20 -139.06 132.72 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -82.94 50.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.38 -36.59 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ3' ' OE2' ' A' ' 29' ' ' GLU . 97.7 m95 -111.48 106.93 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -87.49 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 41' ' ' LEU . 16.3 tp -98.38 102.34 14.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.71 140.03 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.2 tt0 -116.9 118.53 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 HD21 ' A' ' 30' ' ' LEU . 70.9 t -92.65 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.628 ' N ' HG12 ' A' ' 57' ' ' VAL . 20.1 m120 -91.7 52.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.76 -32.51 4.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.14 119.14 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -104.31 137.12 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -162.01 149.71 18.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -72.9 128.77 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -124.27 160.38 52.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.1 p -79.1 -6.27 56.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -21.7 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' O ' HD13 ' A' ' 69' ' ' ILE . 5.2 m-85 -101.04 39.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 1.7 mm -125.02 120.68 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.669 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -127.39 151.11 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 137.84 41.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -81.69 157.52 24.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -98.6 -44.85 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.8 p -174.65 139.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.66 159.9 0.28 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.19 13.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m 72.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.04 -58.01 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -109.65 169.86 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -131.05 167.64 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.43 156.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -134.35 -45.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.17 84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.02 -134.26 12.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m 59.81 167.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 131.53 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.95 103.15 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -158.93 81.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.71 -115.59 7.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 49.77 96.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -82.64 160.47 22.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 72' ' ' THR . 70.2 t -147.45 115.02 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 38' ' ' LEU . 16.4 m-85 -111.64 151.54 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 20.1 p90 -133.38 157.05 46.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.07 136.25 57.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.9 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.2 t -68.28 -51.49 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -122.98 175.43 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -75.07 102.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -97.53 151.38 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.6 ttpm? -127.76 142.87 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 128.93 35.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -108.79 -20.69 12.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -122.28 167.26 14.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.42 13.21 20.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.36 167.59 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 60' ' ' LYS . 2.6 tp -126.1 137.1 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.0 p -96.19 118.99 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG13 ' HG ' ' A' ' 30' ' ' LEU . 14.5 m -139.72 142.26 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -82.83 -176.13 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 146.99 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 50.35 27.73 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 36' ' ' GLN . 17.0 tp60 -86.6 127.97 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -69.01 143.17 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -151.95 148.09 27.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.48 106.83 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 38' ' ' LEU . 7.7 mm -69.86 114.16 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.45 -65.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.96 142.75 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 97.3 m-85 -87.75 39.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -158.48 176.28 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -97.95 -88.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.0 m -80.07 52.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 46' ' ' VAL . 14.6 t 49.34 35.82 8.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.78 -97.75 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -40.29 128.57 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.1 p -97.31 49.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.66 -39.94 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -111.96 144.39 41.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 107.962 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.644 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 49.9 m0 -112.42 135.37 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -83.99 108.28 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.22 139.57 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 42.5 tt0 -123.61 96.57 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.521 HG12 HD11 ' A' ' 30' ' ' LEU . 7.4 p -123.19 135.79 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.3 29.58 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.96 23.67 66.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.751 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttm -121.22 111.13 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 4.9 mtmm -88.28 155.92 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.86 156.58 13.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 21.9 m-85 -87.1 115.37 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.931 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -105.99 155.71 37.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.425 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 90.0 p -71.98 -16.51 62.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.25 -21.07 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 17.7 m-85 -102.53 38.63 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CZ3' ' A' ' 53' ' ' TRP . 7.3 mm -118.45 154.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.9 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.44 154.66 41.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -110.02 135.1 51.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 15' ' ' VAL . 40.0 p -73.62 103.82 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 64.37 122.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.1 t -139.94 -57.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.92 -171.67 12.27 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 154.62 42.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p 43.1 81.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 91.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -119.46 168.7 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -135.95 165.98 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.04 -164.1 10.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -113.54 97.4 6.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.752 . . . . 0.0 109.927 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 p -175.28 169.82 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.73 110.17 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.52 87.04 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.23 143.75 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.4 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 53.95 81.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.48 121.64 0.99 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -53.81 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -46.42 154.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.536 HG23 ' HE3' ' A' ' 37' ' ' LYS . 7.1 p -175.61 127.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 13.0 m-85 -130.7 147.29 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.5 p90 -128.03 156.66 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -65.89 127.8 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.642 HG22 ' CG ' ' A' ' 70' ' ' ARG . 6.1 t -72.91 -42.31 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -126.52 168.84 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 33' ' ' SER . 88.3 m -79.88 104.75 10.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 78.9 t80 -97.37 164.27 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 23.0 tttt -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 122.73 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -107.43 -25.39 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -110.15 164.25 15.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -119.36 22.85 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 68.7 mt-10 -126.35 145.49 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -111.0 140.32 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -90.12 132.38 35.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 16.4 m -133.96 167.34 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -110.32 172.17 7.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.37 130.32 36.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 4.8 m-20 83.57 -6.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.829 ' NE2' HD23 ' A' ' 38' ' ' LEU . 1.5 tt0 -67.81 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HE3' HG23 ' A' ' 15' ' ' VAL . 5.4 ttpt -72.68 151.83 42.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.829 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -158.27 141.46 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 106.1 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.3 mm -66.17 90.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.1 mt -56.94 -66.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -123.2 -178.89 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.595 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.0 m-85 -122.85 32.36 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -153.35 -169.96 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 7.2 p30 -147.08 -175.25 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -37.2 -75.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.566 ' H ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -37.66 -46.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.33 -16.63 9.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 21.2 p30 -46.01 170.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.8 p -120.33 27.38 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 -9.46 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 75.7 m95 -128.47 139.41 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.595 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.7 m0 -116.59 143.89 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 41' ' ' LEU . 36.7 tp -90.28 96.25 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -97.77 139.53 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.5 tt0 -120.19 115.27 23.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 58' ' ' ASN . 54.5 t -85.94 -102.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.702 ' N ' HG12 ' A' ' 57' ' ' VAL . 19.8 m-20 -102.04 60.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.11 -30.81 5.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -68.11 110.42 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.14 136.84 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -165.08 154.67 25.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 10.7 m-85 -79.64 127.59 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.57 163.61 33.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.861 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 144.11 30.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.8 p -81.91 -2.47 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.87 -20.69 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 6.6 m-85 -99.95 23.71 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.7 mm -107.72 158.98 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.642 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -145.47 156.86 43.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 125.13 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.497 ' HB ' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -104.8 167.28 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 72' ' ' THR . 7.9 pt-20 -112.68 162.16 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.7 p -104.41 160.46 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.02 -155.2 6.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.9 p -91.23 126.13 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t 65.22 126.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p 55.96 170.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.82 -85.02 0.56 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t 44.82 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.12 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.68 -129.25 24.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.7 164.38 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 pt-20 -121.38 47.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 9' ' ' GLU . . . 76.57 77.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.8 113.52 20.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.68 -112.23 4.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -169.13 -68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -47.59 150.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.988 ' O ' HG22 ' A' ' 72' ' ' THR . 79.3 t -136.73 94.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 69' ' ' ILE . 9.8 m-85 -106.41 153.59 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 38.3 p90 -138.19 153.2 49.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.19 130.61 46.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.8 t -70.21 -47.15 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.54 158.24 30.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 3.1 m -67.72 106.33 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 88.3 t80 -108.13 154.83 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.24 49.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -75.25 171.88 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 1.3 mpp_? -166.59 -36.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -97.0 160.56 28.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 42.51 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 26' ' ' ASN . 5.8 m120 -175.76 33.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.48 142.35 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -109.71 141.51 42.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 138.73 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 11.9 m -146.38 133.82 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -79.85 -178.09 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.81 137.47 36.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 63.9 13.02 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -78.56 122.85 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -59.34 150.71 25.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -162.59 126.23 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.46 112.59 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 38' ' ' LEU . 8.9 mm -75.31 103.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -70.14 -64.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.06 152.67 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 83.4 m-85 -96.44 13.68 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 145.15 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLY . 3.5 p30 -83.83 171.18 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -48.61 -40.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -56.4 -25.85 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 101.55 -9.26 57.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.59 123.82 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.9 p -87.36 44.26 1.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -113.81 -39.01 4.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.08 127.52 47.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 107.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.604 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 45.1 m0 -104.38 134.03 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 61' ' ' LYS . 17.0 tp -78.73 107.75 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.92 144.54 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.8 tt0 -124.64 108.96 12.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -117.62 110.92 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.2 m-20 58.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 36.84 56.51 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -154.25 106.36 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB3' HD11 ' A' ' 54' ' ' LEU . 12.1 mttm -86.2 150.5 24.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.27 152.61 17.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.49 123.73 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -122.84 162.85 36.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.247 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.841 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.02 143.63 29.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.4 p -79.23 -3.34 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -90.47 -22.17 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.1 m-85 -101.7 34.51 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.761 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.1 mm -115.72 151.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.605 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.9 159.29 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -121.52 124.79 45.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.4 t -82.68 153.94 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 56.62 104.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -108.12 105.95 15.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.64 159.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.05 23.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 t -171.93 85.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t 63.0 124.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -68.84 148.99 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -174.43 153.27 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.8 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 65.93 155.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -167.89 104.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.93 -160.55 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -131.74 -60.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 tt0 -138.3 -45.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' GLU . . . 69.59 122.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -106.99 171.01 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.78 -120.28 4.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.05 106.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.39 152.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.551 ' CG1' HG22 ' A' ' 72' ' ' THR . 9.1 p -174.61 127.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 7.2 m-85 -118.43 147.95 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' HE2' ' HG1' ' A' ' 72' ' ' THR . 49.1 p90 -129.14 154.48 46.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.51 136.97 57.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG3' ' A' ' 70' ' ' ARG . 3.4 t -85.02 -52.65 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.07 150.99 33.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -62.72 105.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB3' HG22 ' A' ' 32' ' ' VAL . 53.8 t80 -92.6 166.42 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -143.9 146.14 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 119.85 22.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -102.7 -24.54 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -120.13 164.11 24.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.09 9.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -117.21 26.47 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 25.0 mt-10 -133.76 153.82 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -114.99 141.98 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -89.59 135.05 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 22' ' ' PHE . 35.6 m -137.65 168.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 58.2 m -112.91 178.72 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 144.88 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.2 m-20 57.92 26.35 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -94.28 124.47 38.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.24 148.92 49.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -161.98 130.9 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 107.87 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 38' ' ' LEU . 7.3 mm -69.35 99.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.61 -69.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -119.55 179.22 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 91.4 m-85 -127.42 28.39 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -169.45 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 1.3 p30 -141.0 170.45 15.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 47' ' ' THR . 8.9 m -41.56 -55.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.502 ' H ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -52.73 -40.74 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 104.89 59.27 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 51' ' ' GLU . 41.2 t-20 -138.02 134.91 35.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 30.3 p -83.21 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' CD ' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -114.18 -25.54 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.609 ' CD1' ' CD ' ' A' ' 51' ' ' GLU . 97.3 m95 -123.0 109.14 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 38.3 m0 -87.85 143.68 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -93.72 104.48 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.63 142.8 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.81 115.85 25.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 58' ' ' ASN . 76.5 t -91.35 -98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.588 ' N ' HG12 ' A' ' 57' ' ' VAL . 26.4 m-80 -89.53 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.82 -28.06 7.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.835 ' O ' HD13 ' A' ' 30' ' ' LEU . 69.3 mttt -70.18 104.12 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -84.15 139.25 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -161.84 146.83 12.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -72.36 118.72 15.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.09 164.36 15.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.866 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.91 145.34 31.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.6 p -86.56 5.8 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.51 -28.82 13.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 18.0 m-30 -97.53 43.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.837 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.5 mm -120.77 154.58 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.98 156.82 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 126.86 52.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.551 HG22 ' CG1' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -106.79 168.35 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 72' ' ' THR . 0.7 OUTLIER -135.58 -55.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.98 83.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.4 160.19 3.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.5 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.5 t -99.35 85.93 3.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -135.33 165.37 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -128.24 162.46 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -54.72 112.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.38 -63.07 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 61.55 93.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -131.8 171.83 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.052 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.1 179.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.17 162.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 61.62 125.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.54 153.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 145.49 47.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.49 135.13 12.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.02 154.2 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 48.91 98.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.4 100.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' HB3' HG22 ' A' ' 69' ' ' ILE . 12.3 m-85 -104.79 152.43 22.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -134.46 156.47 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -72.7 76.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.759 HG13 ' CD2' ' A' ' 20' ' ' TYR . 7.1 p -39.78 -30.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.759 ' CD2' HG13 ' A' ' 19' ' ' VAL . 63.1 m-85 -127.77 140.84 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.43 137.58 58.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 65' ' ' PRO . 24.4 t80 -135.72 151.94 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.75 141.83 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -84.96 92.37 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -77.29 -19.42 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -117.77 163.36 24.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.01 21.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.76 -16.94 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -86.18 148.13 25.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 55' ' ' ALA . 1.9 tp -106.91 140.46 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 p -95.13 125.13 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.647 HG12 HG21 ' A' ' 57' ' ' VAL . 3.1 m -140.29 133.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.3 m -75.3 -176.95 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -76.3 155.94 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER 41.78 34.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -101.28 121.98 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 146.5 48.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -153.39 148.9 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 14.0 tppt? -91.14 115.81 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 38' ' ' LEU . 4.7 mm -82.66 88.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.828 HD12 ' HG ' ' A' ' 54' ' ' LEU . 71.3 mt -59.47 -65.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.23 179.62 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 56.6 m-85 -126.29 25.71 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -143.07 -165.88 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.77 173.57 11.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 47' ' ' THR . 10.1 m -42.83 -58.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.597 ' H ' HG23 ' A' ' 46' ' ' VAL . 53.9 p -50.38 -41.54 52.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.29 32.93 2.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -103.34 135.88 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 p -85.11 47.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -116.67 -36.61 3.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 95.5 m95 -107.75 125.53 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 41.9 m0 -102.26 154.28 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.828 ' HG ' HD12 ' A' ' 41' ' ' LEU . 10.2 tp -96.45 98.61 10.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -88.73 141.33 28.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HB2' HD11 ' A' ' 41' ' ' LEU . 25.2 tt0 -125.19 97.85 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 32' ' ' VAL . 93.2 t -92.86 76.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 54.16 69.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.78 -50.31 2.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.1 mmtp -54.33 104.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.74 143.12 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.92 160.21 24.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.543 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.0 m-85 -84.04 138.28 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.749 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -136.8 169.44 13.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.749 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.0 135.27 18.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 83.8 p -73.94 -4.63 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -88.07 -22.39 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.589 ' CD2' ' HB2' ' A' ' 20' ' ' TYR . 3.0 m-85 -93.48 8.41 40.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 ' O ' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -108.0 103.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -118.76 138.65 52.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -84.94 143.89 28.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.6 p -75.97 100.34 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -92.4 114.97 27.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -90.3 105.47 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.73 148.47 42.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 91.98 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -107.8 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 m 60.71 117.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.85 169.85 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.29 -58.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.26 108.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.61 161.32 9.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 115.1 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.24 -136.58 34.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.94 100.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -111.95 39.5 2.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 86.2 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.98 80.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.8 -127.65 1.9 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.28 171.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -111.45 153.85 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.964 ' O ' HG22 ' A' ' 72' ' ' THR . 96.3 t -146.83 111.07 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.663 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.0 m-85 -100.27 153.51 19.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 32.2 p90 -137.51 155.73 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -71.95 139.82 48.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.836 HG22 ' HG3' ' A' ' 70' ' ' ARG . 1.8 t -83.63 -48.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -118.36 141.42 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 34' ' ' ALA . 15.9 m -58.16 103.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 46.9 t80 -86.95 166.46 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -138.64 126.77 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.9 131.29 41.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.05 -22.87 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -121.48 164.5 24.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -98.29 -16.42 19.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' CD ' ' OD1' ' A' ' 26' ' ' ASN . 95.8 mt-10 -96.97 142.66 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.0 p -86.15 133.22 33.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.8 m -136.49 148.02 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -92.87 168.69 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -68.92 142.19 54.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 60.92 23.83 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 54.1 tp60 -86.08 157.29 20.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.862 ' C ' HD13 ' A' ' 38' ' ' LEU . 7.3 tttt -99.66 133.07 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.862 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -140.47 154.82 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 13.0 tppt? -104.7 114.04 28.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.591 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -77.36 92.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 56' ' ' GLU . 88.4 mt -66.92 -60.99 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.07 157.63 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.38 29.11 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -173.66 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.834 ' OD2' HG22 ' A' ' 47' ' ' THR . 55.6 p30 -133.36 -169.19 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.78 HG13 ' OH ' ' A' ' 63' ' ' TYR . 11.4 m -66.25 -35.97 76.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.834 HG22 ' OD2' ' A' ' 45' ' ' ASP . 14.9 t -91.1 31.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.73 63.1 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 35.0 t-20 -130.5 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -59.9 -22.28 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -51.6 -29.09 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -113.3 127.95 56.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -111.43 143.24 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 41' ' ' LEU . 8.2 tp -86.58 101.27 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -94.37 150.26 20.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HB2' HD11 ' A' ' 41' ' ' LEU . 32.7 tt0 -134.43 104.86 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 57' ' ' VAL . 54.5 t -100.78 74.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 62.63 69.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.65 -50.62 4.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -55.53 109.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 5.0 mtmp? -111.25 159.13 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.3 163.37 24.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.088 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.78 ' OH ' HG13 ' A' ' 46' ' ' VAL . 14.2 m-85 -91.14 126.65 36.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.59 167.0 13.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.865 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.01 139.97 24.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.449 1.763 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.404 ' HA ' HG13 ' A' ' 69' ' ' ILE . 88.2 p -80.94 1.25 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -92.83 -33.93 14.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 19.8 m-30 -93.78 41.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -116.92 163.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.836 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -162.31 154.58 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.6 128.29 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.964 HG22 ' O ' ' A' ' 15' ' ' VAL . 10.1 t -88.02 160.23 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -104.35 132.9 50.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.07 98.45 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.34 143.94 0.36 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.67 42.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -125.25 100.56 6.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -59.57 113.55 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -120.27 118.43 30.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -117.97 148.38 42.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.4 -161.95 0.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -98.37 123.98 42.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.16 102.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.48 -161.02 32.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 t 64.52 90.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -178.26 123.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.08 170.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.67 132.32 40.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.81 104.69 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.33 162.03 21.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 61.07 141.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.822 HG13 ' HB ' ' A' ' 72' ' ' THR . 2.4 p -156.62 117.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -138.38 147.29 43.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 9.2 p90 -131.26 149.56 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -57.2 130.32 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.891 HG22 ' CG ' ' A' ' 70' ' ' ARG . 32.2 t -61.83 -53.09 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -124.98 165.75 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 33' ' ' SER . 94.7 m -65.33 110.28 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -104.19 151.03 23.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -123.21 136.34 54.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 122.44 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.8 -22.3 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -106.51 165.93 12.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.83 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -83.43 -37.19 23.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.19 149.95 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -113.23 135.34 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -85.07 127.85 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 38' ' ' LEU . 19.7 m -138.82 129.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.598 ' HA ' HG23 ' A' ' 21' ' ' THR . 2.2 m -74.06 -176.51 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -77.21 138.35 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 58.82 23.43 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.5 tp60 -88.0 119.38 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 150.19 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.832 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -155.14 148.96 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 109.08 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD12 ' A' ' 38' ' ' LEU . 5.1 mm -73.97 108.92 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.9 mt -75.2 -61.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.09 153.86 46.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.33 28.31 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 3.2 ptpt -151.6 153.95 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 10.1 t0 -72.29 -155.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 63' ' ' TYR . 12.0 m -78.17 -27.91 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 49' ' ' ASN . 11.7 t -98.33 44.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.85 28.12 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.604 ' HB2' HG23 ' A' ' 47' ' ' THR . 45.6 t30 -89.84 127.43 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 p -82.49 50.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -118.93 -38.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -113.04 143.41 44.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.658 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 41.0 m0 -112.97 132.36 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 41' ' ' LEU . 54.5 tp -79.08 96.04 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -92.62 147.81 22.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD11 ' A' ' 41' ' ' LEU . 35.1 tt0 -138.52 94.35 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 30' ' ' LEU . 11.3 p -119.82 148.65 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 60.59 20.86 10.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.62 80.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.166 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.803 ' O ' HD13 ' A' ' 30' ' ' LEU . 9.9 mttt -112.96 108.36 17.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 25.1 mtpt -78.85 152.08 31.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 54' ' ' LEU . . . 178.54 163.12 29.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 39.5 m-85 -100.91 124.38 46.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.852 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.4 164.1 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.852 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.01 144.55 30.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.45 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.7 p -81.71 -1.37 46.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -91.07 -24.64 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.444 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.3 m-85 -102.22 35.23 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 65' ' ' PRO . 7.3 mm -111.16 152.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.73 154.19 42.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.0 137.78 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.822 ' HB ' HG13 ' A' ' 15' ' ' VAL . 26.1 m -89.39 33.89 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' THR . 14.0 pt-20 -49.84 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.8 t 179.41 -45.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.76 153.86 27.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.21 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.5 -57.96 2.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -161.81 -58.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -71.86 153.22 42.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.97 166.33 33.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -84.9 162.35 19.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -66.16 -57.54 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -154.73 26.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -61.94 149.74 39.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -112.86 73.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.237 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.27 106.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.05 167.51 12.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.86 140.41 3.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -59.4 -164.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.623 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 4.9 pt20 33.34 99.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 72' ' ' THR . 70.6 t -138.77 103.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.681 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-85 -105.97 156.93 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 30.7 p90 -135.21 155.51 50.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -69.98 137.03 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.4 t -71.46 -48.28 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.503 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 6.8 m-85 -132.1 154.99 48.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -57.07 102.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 55.8 t80 -86.91 168.74 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -141.34 135.54 30.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.39 136.58 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -113.34 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 164.32 16.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.15 9.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -105.55 -23.38 12.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 79.4 mt-10 -87.43 141.13 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -107.54 140.9 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.9 p -84.49 136.73 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.514 HG12 HG21 ' A' ' 57' ' ' VAL . 3.3 m -133.62 146.68 31.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -85.95 171.63 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -78.05 141.21 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 63.53 14.3 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 30.3 tp60 -81.27 155.99 25.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.883 ' C ' HD13 ' A' ' 38' ' ' LEU . 8.3 mtpm? -98.35 135.19 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -136.2 133.54 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.741 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.1 112.01 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 43' ' ' PHE . 4.8 mm -72.1 111.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.741 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -83.21 -58.4 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -134.86 143.47 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 40' ' ' ILE . 88.5 m-85 -92.03 27.01 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 148.48 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 8.3 p30 -102.36 173.03 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 47' ' ' THR . 16.2 m -45.89 -48.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 46' ' ' VAL . 57.5 p -51.53 -33.01 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.15 66.7 1.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 33.4 t30 -128.32 8.74 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ASN . 11.5 p 37.78 34.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -113.26 -31.72 6.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 98.4 m95 -105.6 107.85 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.426 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.4 m0 -90.0 130.29 36.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.491 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.2 tp -78.8 101.61 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.631 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -107.24 142.81 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.738 ' HB2' HD11 ' A' ' 41' ' ' LEU . 53.8 tt0 -123.27 117.96 26.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 58' ' ' ASN . 73.2 t -103.47 -103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -73.26 80.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 36.81 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 1.7 mttm -135.91 130.05 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 7.8 mttp -99.68 148.01 24.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -166.25 147.86 12.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -78.87 109.58 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.859 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -103.59 162.37 20.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.859 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -81.33 -3.03 51.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -21.09 22.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.473 ' C ' HD13 ' A' ' 69' ' ' ILE . 17.9 m-85 -103.07 35.65 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -117.69 146.93 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG2' HG22 ' A' ' 19' ' ' VAL . 1.6 mmp_? -138.46 154.33 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.09 132.31 54.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 15' ' ' VAL . 71.8 p -75.02 103.7 5.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' GLY . 12.5 pt-20 -78.27 131.18 36.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.86 -65.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . -176.03 -176.61 44.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 66.88 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -171.14 154.68 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 t -165.96 121.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p 46.37 89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -105.47 132.61 51.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.59 147.69 17.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -156.52 158.39 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m 62.36 111.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.83 129.71 10.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.2 p -172.21 168.74 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.23 84.36 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.03 169.23 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 58.46 113.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.29 163.19 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.26 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -42.76 155.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.8 t -142.56 107.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 5.7 m-85 -114.25 150.24 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 7.0 p90 -137.5 159.17 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -74.4 126.32 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.79 HG22 ' HG2' ' A' ' 70' ' ' ARG . 17.3 t -55.43 -57.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -115.71 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 33' ' ' SER . 20.6 m -85.07 108.56 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 79.2 t80 -103.58 162.34 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.9 tptt -140.85 151.48 44.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.42 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.01 -25.53 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.262 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -117.49 161.34 34.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.3 3.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -166.42 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.52 147.69 44.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -105.79 136.84 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 137.09 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' PHE . 35.8 m -147.29 129.35 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 21' ' ' THR . 62.7 m -75.1 -173.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.85 139.28 37.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 60.99 20.67 11.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -83.31 114.09 21.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.27 144.65 19.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -154.01 134.3 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.76 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -88.08 110.81 20.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.432 HD11 HD13 ' A' ' 38' ' ' LEU . 5.1 mm -70.36 107.91 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 56' ' ' GLU . 18.3 mt -75.47 -68.95 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.53 167.94 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 94.2 m-85 -112.76 31.34 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 -170.61 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.855 ' OD2' HG22 ' A' ' 47' ' ' THR . 51.9 p30 -132.18 -170.01 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' OH ' ' A' ' 63' ' ' TYR . 3.4 m -66.1 -36.51 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.855 HG22 ' OD2' ' A' ' 45' ' ' ASP . 12.5 t -90.39 32.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.48 61.69 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.5 t-20 -125.76 127.94 46.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.8 p -89.8 39.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.91 -22.95 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.501 ' CE3' ' C ' ' A' ' 64' ' ' VAL . 56.5 m95 -133.52 114.75 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 50.4 m0 -86.82 173.5 9.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.9 tp -113.97 104.88 12.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.804 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -105.87 140.8 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.92 ' HB2' HD11 ' A' ' 41' ' ' LEU . 34.1 tt0 -118.49 97.79 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 HD21 ' A' ' 30' ' ' LEU . 32.8 m -115.57 135.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 57.28 55.36 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.96 35.03 1.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -129.61 122.39 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -96.39 139.15 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.1 138.59 4.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' HG13 ' A' ' 46' ' ' VAL . 5.0 m-85 -69.91 116.02 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -101.48 156.84 34.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 98.5 p -53.65 -19.78 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.93 -17.8 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 8.0 m-85 -112.02 41.2 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 30.8 mm -113.49 162.69 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.79 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -165.82 156.95 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 72' ' ' THR . 3.3 tttt -123.22 99.07 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 71' ' ' LYS . 4.7 p 33.48 -149.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.23 139.44 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.6 p -94.77 132.52 39.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.26 179.3 25.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.73 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.66 85.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -39.43 -57.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -178.29 117.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 63.32 159.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.22 109.88 3.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -146.78 81.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.73 154.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.57 79.43 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.63 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.75 130.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.41 126.86 26.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.76 84.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.11 172.91 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.42 100.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.3 pm0 -48.07 157.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 14' ' ' GLN . 18.3 t -159.98 122.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.672 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.0 m-85 -115.1 156.27 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 33.3 p90 -136.23 146.28 46.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.633 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -52.58 123.77 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 70' ' ' ARG . 12.9 t -68.8 -23.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 56.1 m-85 -153.13 153.58 33.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.14 120.2 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 54.3 t80 -120.11 163.05 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 53.6 tttm -134.24 146.06 49.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.64 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -101.14 -29.86 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -113.25 164.3 16.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -103.45 -20.5 14.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.7 mt-10 -81.76 171.95 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD21 HG23 ' A' ' 57' ' ' VAL . 1.8 tp -136.49 141.94 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.9 p -85.56 132.11 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.76 124.0 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -70.41 178.27 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.75 144.35 33.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 61.89 13.75 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 34.4 tp60 -78.62 152.64 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.944 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.6 mtpt -98.71 135.93 39.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -134.92 145.75 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 105.88 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.3 mm -66.87 107.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 54' ' ' LEU . 76.6 mt -83.05 -58.37 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.9 160.58 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 40' ' ' ILE . 56.2 m-85 -109.76 31.41 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -158.73 170.3 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 42.2 p30 -108.63 -176.1 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.658 HG13 ' OH ' ' A' ' 63' ' ' TYR . 8.9 m -62.49 -20.54 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.417 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 1.5 p -99.61 33.73 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.76 45.76 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 19.1 t30 -113.51 122.38 47.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -82.67 50.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.96 -35.6 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 83.9 m95 -109.69 131.3 55.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.2 m0 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.1 tp -80.8 94.39 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -95.8 149.44 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 41' ' ' LEU . 10.2 tt0 -128.54 119.36 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.623 HG12 ' N ' ' A' ' 58' ' ' ASN . 58.8 t -93.19 -98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.623 ' N ' HG12 ' A' ' 57' ' ' VAL . 24.2 m-20 -103.51 55.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.08 -33.21 4.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -67.02 108.98 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 14.3 mttp -102.18 137.98 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -164.85 154.51 25.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.658 ' OH ' HG13 ' A' ' 46' ' ' VAL . 6.7 m-85 -76.74 121.19 22.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.16 163.95 18.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 143.99 29.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 91.9 p -82.45 -13.74 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -80.96 -17.23 51.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.422 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.0 m-85 -105.0 30.4 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.7 mm -115.69 136.63 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 1.014 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.2 tpt180 -122.58 153.64 39.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -107.87 132.8 53.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -78.14 103.76 8.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.25 -65.12 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.83 84.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.26 148.51 20.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.17 36.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 165.96 22.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.8 p -164.26 93.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p 55.86 167.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -147.03 -60.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.34 -161.21 28.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 133.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -175.16 169.42 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.17 172.43 35.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -100.08 152.43 20.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -113.11 -28.78 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.88 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -120.22 115.97 24.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.26 -131.21 10.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.8 171.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.56 143.75 53.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.36 108.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' LEU . 23.5 m-85 -118.54 148.75 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 45.7 p90 -130.36 153.15 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -66.87 132.83 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.68 HG22 ' CG ' ' A' ' 70' ' ' ARG . 15.7 t -72.73 -48.3 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.47 148.2 44.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.6 m -58.8 101.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 76.9 t80 -93.42 171.27 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -149.78 147.51 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -76.78 173.31 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.518 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -165.4 -36.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -98.06 165.25 15.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.23 3.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -174.39 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -62.14 144.59 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -116.5 145.22 43.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -86.79 129.19 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 57' ' ' VAL . 16.1 m -135.66 149.14 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -88.73 174.95 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -77.55 140.81 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.7 m-20 58.74 24.2 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -93.49 122.93 36.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -65.79 144.55 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.19 107.66 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.4 mm -66.39 120.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.084 ' CB ' HD13 ' A' ' 54' ' ' LEU . 25.8 mt -91.42 -28.56 17.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 20.3 mt-10 -162.51 171.23 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.601 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 50.8 m-85 -117.75 14.64 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -161.7 130.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.551 ' CG ' HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -63.52 172.14 2.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' GLY . 9.3 m -47.23 -52.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' CG ' ' A' ' 45' ' ' ASP . 1.5 t -41.69 -27.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' VAL . . . 105.25 -23.14 31.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 47' ' ' THR . 37.0 t-20 -53.3 135.97 37.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 44' ' ' LYS . 57.8 p -96.02 41.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.06 -27.96 11.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.28 141.59 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 26.8 m0 -114.08 140.69 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.084 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -81.04 123.92 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.02 135.35 48.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -125.33 108.69 11.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 30' ' ' LEU . 83.4 t -88.27 -106.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.664 ' N ' HG12 ' A' ' 57' ' ' VAL . 72.1 m-20 -79.16 87.29 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.24 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' ASN . 4.2 mttm -127.71 107.6 10.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -78.97 150.58 31.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -174.54 153.44 16.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.4 m-85 -94.03 135.3 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.65 165.86 21.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.731 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.1 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.7 p -81.81 5.86 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 -24.17 14.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.07 28.82 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.4 mm -107.04 158.97 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.68 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -149.0 160.28 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -121.69 132.75 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.7 p -74.02 103.39 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.67 57.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.6 p -113.06 135.87 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.06 151.58 51.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.71 26.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.482 1.78 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.1 p -176.27 161.14 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.938 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.16 29.65 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 t -94.7 140.03 30.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -155.04 139.91 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.34 -112.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m 57.45 104.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -73.58 161.94 29.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 -138.94 6.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -91.05 166.64 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.6 84.63 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.15 151.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.07 156.64 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.06 121.92 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -135.19 95.87 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.445 ' C ' HG23 ' A' ' 15' ' ' VAL . 96.2 mt-30 -72.04 146.87 47.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.945 ' O ' HG22 ' A' ' 72' ' ' THR . 57.9 t -153.49 113.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.79 148.54 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 39.0 p90 -128.34 149.54 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -61.98 130.93 47.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' CG ' ' A' ' 70' ' ' ARG . 11.3 t -64.68 -44.76 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -133.14 164.13 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -65.98 106.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 67.8 t80 -100.08 150.58 22.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 144.43 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -73.78 171.83 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -164.42 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -99.7 164.85 15.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 5.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -131.77 34.93 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 26' ' ' ASN . 2.9 mt-10 -131.53 159.5 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HG23 ' A' ' 57' ' ' VAL . 1.4 tp -126.36 148.78 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -97.25 122.34 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 57' ' ' VAL . 19.0 m -129.18 174.55 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -114.44 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.11 136.48 37.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.65 17.26 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -86.72 119.06 26.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 15' ' ' VAL . 2.2 ttmt -60.51 149.54 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -152.2 133.32 14.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 108.45 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.2 mm -66.38 118.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.072 ' CB ' HD13 ' A' ' 54' ' ' LEU . 20.3 mt -89.65 -30.67 17.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 24.5 mt-10 -161.92 171.46 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 62.1 m-85 -117.8 11.05 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 134.01 9.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.82 173.95 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 47' ' ' THR . 16.0 m -45.58 -57.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.54 ' H ' HG23 ' A' ' 46' ' ' VAL . 40.8 p -38.02 -35.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.57 -8.46 30.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.35 139.91 58.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -101.44 36.11 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.64 -24.32 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 75.7 m95 -118.27 144.59 45.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 28.1 m0 -116.64 146.18 42.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.072 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -86.39 126.54 34.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.89 142.41 50.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.4 tt0 -127.47 103.27 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.023 HG23 HD21 ' A' ' 30' ' ' LEU . 86.1 t -77.7 -106.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 57' ' ' VAL . 3.2 t-20 -83.82 50.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -26.37 7.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.875 ' O ' HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -68.78 105.27 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 mtmt -84.42 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.98 156.88 22.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.1 m-85 -90.49 135.36 33.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.24 166.44 15.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.832 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.97 143.45 29.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -77.63 -1.07 29.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.17 -20.7 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 7.7 m-85 -103.16 35.75 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.565 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.8 mm -117.17 155.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.822 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -147.55 149.88 33.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.6 130.8 49.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.945 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.0 t -97.05 150.8 20.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.56 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -42.88 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.83 147.81 8.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.73 42.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.28 159.38 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.7 p -145.09 154.36 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.062 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -164.67 163.32 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -138.59 123.54 18.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.33 -80.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.61 159.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 0.797 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.01 165.51 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.69 -161.66 9.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 p -100.64 122.76 43.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 126.06 16.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.18 164.8 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.89 127.33 44.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.32 79.11 1.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.02 152.69 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -57.03 152.4 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.38 93.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.06 150.45 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 41.0 p90 -136.45 152.2 50.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.94 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 70' ' ' ARG . 5.5 t -79.35 -39.5 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 41.6 m-85 -129.63 172.17 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 33' ' ' SER . 97.7 m -83.69 94.55 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 88.8 t80 -91.13 169.13 11.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 1.5 ttmt -149.98 143.04 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.31 129.91 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -111.24 -19.19 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.35 164.1 23.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -166.14 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.78 177.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.736 HD12 HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.59 152.96 50.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.625 ' N ' HD13 ' A' ' 30' ' ' LEU . 3.4 p -103.86 103.99 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG13 HD12 ' A' ' 30' ' ' LEU . 33.3 m -130.65 125.59 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.721 ' HA ' HG23 ' A' ' 21' ' ' THR . 71.9 m -75.54 -178.36 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.88 141.36 40.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 58.33 24.35 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -93.41 123.11 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -59.3 150.08 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -158.15 125.99 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.99 111.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.4 mm -70.07 108.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 39' ' ' LYS . 27.9 mt -78.99 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -120.8 -176.46 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 85.5 m-85 -131.72 38.28 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 154.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.514 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 17.3 p-10 -108.54 -174.91 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 47' ' ' THR . 22.8 m -48.32 -47.92 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 46' ' ' VAL . 81.0 p -51.5 -21.68 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 -26.7 15.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 48.3 t-20 -53.61 139.73 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 9.7 p -91.9 39.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . 2.7 mt-10 -107.85 -19.2 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -111.37 106.32 15.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.3 m0 -91.66 142.4 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 41' ' ' LEU . 17.7 tp -91.16 101.36 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.36 148.32 26.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -112.83 117.51 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 30' ' ' LEU . 14.0 t -137.7 136.86 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 m120 52.6 35.81 19.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.65 7.45 47.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -104.62 127.2 52.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 0.733 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -109.46 128.1 54.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.563 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -150.76 161.88 29.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 7.8 m-85 -82.31 108.23 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -102.99 160.49 26.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.99 146.1 32.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 87.7 p -80.51 -10.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.72 -21.27 34.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.485 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.5 m-85 -102.44 35.57 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 65' ' ' PRO . 5.3 mm -115.94 152.9 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.908 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.02 154.33 38.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.15 127.76 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.8 p -62.48 103.53 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -49.14 -52.89 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m 55.47 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.33 160.0 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.39 26.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m 59.07 86.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.16 124.25 30.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 -58.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.99 167.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.5 156.71 7.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -163.23 -55.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m 61.93 140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.7 163.3 30.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.71 117.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.77 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 62.93 127.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.14 73.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.73 142.98 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.46 74.27 0.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER 174.54 164.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 13' ' ' ASN . 44.8 mt-30 59.29 151.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' CG1' HG22 ' A' ' 72' ' ' THR . 12.3 p -175.44 127.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.71 ' O ' HD22 ' A' ' 38' ' ' LEU . 10.8 m-85 -120.12 153.14 36.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 48.5 p90 -133.79 158.51 43.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -71.91 121.83 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 70' ' ' ARG . 4.5 t -63.91 -29.57 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 42.3 m-85 -141.99 160.26 40.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.3 m -68.3 113.96 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' NE ' ' A' ' 25' ' ' ARG . 78.2 t80 -111.24 128.07 55.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.9 mmtt -114.84 109.45 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' LYS . . . -27.52 138.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -117.31 -14.14 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -132.85 161.99 60.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.43 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.803 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -167.08 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.59 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.6 mt-10 -65.28 150.58 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -107.1 138.93 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 24' ' ' ALA . 18.9 m -85.95 119.43 26.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 15.6 m -119.54 116.37 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.06 174.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.92 127.73 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 3.7 m120 82.98 -2.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 7.8 tp60 -63.52 150.04 44.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.851 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.7 mtpm? -98.06 134.35 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.55 137.76 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.763 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -93.32 108.24 19.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.9 mm -64.03 113.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.939 HD11 ' HB2' ' A' ' 56' ' ' GLU . 26.6 mt -87.87 -62.52 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.28 156.5 38.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -106.06 32.26 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -153.36 -164.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -147.38 174.53 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG23 ' H ' ' A' ' 47' ' ' THR . 5.8 m -41.8 -60.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.616 ' H ' HG23 ' A' ' 46' ' ' VAL . 62.8 p -49.93 -34.99 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 102.39 30.19 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 53.0 t-20 -102.59 135.76 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p -86.26 45.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -111.45 -30.53 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 89.1 m95 -111.52 128.5 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.424 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.7 m0 -105.45 139.32 40.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -87.67 101.07 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.08 132.99 49.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.939 ' HB2' HD11 ' A' ' 41' ' ' LEU . 31.6 tt0 -108.15 109.04 20.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.744 ' CG2' HD11 ' A' ' 30' ' ' LEU . 7.1 m -130.76 134.31 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 61.16 44.24 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.8 34.85 22.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -131.58 122.28 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -95.5 132.38 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.66 140.44 6.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -68.41 142.48 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -138.91 163.24 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 144.6 30.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.457 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 86.5 p -84.12 -1.22 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.85 -19.5 21.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 6.3 m-85 -103.22 25.29 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.707 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.9 mm -107.2 164.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.62 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -156.46 160.2 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.325 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 7.0 ttpt -109.07 135.15 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.568 HG22 ' CG1' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.76 166.42 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 72' ' ' THR . 2.7 pm0 -164.84 138.1 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.51 85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.31 120.05 10.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -43.12 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.96 156.22 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -172.53 84.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.64 -58.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 m -140.03 -58.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.86 81.38 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.51 136.01 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.75 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.32 97.69 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.34 72.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.4 p -153.18 161.46 42.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.28 78.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.07 133.26 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.37 89.85 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.31 9.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.418 1.074 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.41 -66.51 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.71 110.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 72' ' ' THR . 54.0 t -126.38 87.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -102.35 146.43 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 31.5 p90 -128.3 150.37 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.2 143.84 56.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.786 HG22 ' HG3' ' A' ' 70' ' ' ARG . 2.6 t -92.18 -49.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -116.45 135.55 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -49.48 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' VAL . 46.5 t80 -87.73 163.28 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 135.02 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.48 108.34 19.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -90.05 -28.16 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.51 163.24 18.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.21 21.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -90.56 -22.65 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 81.9 mt-10 -87.46 143.1 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -103.89 129.88 51.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -80.99 138.65 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 38' ' ' LEU . 33.5 m -148.85 146.68 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -91.79 179.13 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.7 132.57 37.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' ALA . 40.7 m-20 68.88 16.04 8.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -86.15 113.98 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -60.32 138.93 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -146.97 141.68 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -82.3 122.84 28.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 14.1 mm -93.12 115.67 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.677 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.9 mp -87.24 -58.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -119.01 -177.83 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.621 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.1 m-85 -132.99 14.34 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 149.61 19.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.629 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -72.42 -169.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -39.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.43 ' H ' HG23 ' A' ' 47' ' ' THR . 32.0 p -59.04 -26.84 64.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.44 -26.61 9.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -50.1 129.83 21.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 p -89.19 37.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.12 -36.57 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 85.1 m95 -105.06 134.55 47.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.621 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 23.0 m0 -114.15 141.18 47.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -86.09 126.32 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -131.09 152.53 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.57 87.59 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.2 p -122.07 123.76 69.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.1 t-20 83.35 26.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.58 68.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.741 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttp -128.31 116.84 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.47 156.68 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.34 149.84 6.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 4.5 m-85 -76.03 135.09 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -119.83 161.44 38.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.924 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 139.29 23.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.9 p -81.44 5.0 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -99.02 -24.66 14.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 14.4 m-30 -104.59 47.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.9 mm -122.78 152.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.786 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.69 154.68 40.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -118.52 120.71 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 15' ' ' VAL . 76.5 p -56.44 101.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.29 148.23 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.5 m -94.41 122.62 37.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.17 -167.66 43.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.74 3.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.64 167.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.96 105.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -150.32 105.75 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -175.61 81.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.56 64.08 3.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 t -64.64 -59.62 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -92.74 81.78 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.38 -170.81 23.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.55 105.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -146.98 90.75 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.39 78.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.27 103.05 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -39.12 121.56 1.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -138.02 165.05 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.41 ' C ' HG23 ' A' ' 15' ' ' VAL . 2.2 pt20 -63.39 154.29 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 72' ' ' THR . 84.3 t -151.72 112.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 26.7 m-85 -120.89 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 43.3 p90 -133.75 156.27 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -68.42 131.09 44.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.78 HG22 ' HG2' ' A' ' 70' ' ' ARG . 12.5 t -67.53 -43.36 87.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 32.3 m-85 -127.45 172.48 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -77.81 101.56 6.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.438 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 65' ' ' PRO . 16.1 t80 -110.24 128.48 55.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -110.93 156.3 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -97.54 142.22 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 12.98 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.19 165.21 28.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.65 7.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -128.76 42.21 3.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -144.79 168.89 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -137.72 147.88 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -95.96 115.14 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 30' ' ' LEU . 17.7 m -131.18 117.99 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 24.9 m -67.93 179.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.83 143.96 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 48.34 29.62 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -93.01 119.48 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -63.46 138.07 58.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -142.25 139.16 31.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 106.7 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mm -68.15 101.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.22 -62.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -124.01 -177.24 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -130.8 24.49 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 149.41 11.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.697 ' CG ' HG22 ' A' ' 47' ' ' THR . 35.9 p30 -87.19 -173.33 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -69.55 -28.16 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.697 HG22 ' CG ' ' A' ' 45' ' ' ASP . 14.5 t -91.29 26.42 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.86 69.96 0.72 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 7.1 t-20 -141.55 100.4 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -63.72 -12.88 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.07 -21.91 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 83.2 m95 -124.93 137.57 54.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -114.12 146.64 40.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 62' ' ' GLY . 14.0 tp -93.12 108.92 20.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.08 156.62 20.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.5 tt0 -122.31 121.53 36.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 32' ' ' VAL . 77.4 t -114.21 74.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 61.19 68.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -55.52 3.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -54.6 125.66 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.695 ' C ' HD23 ' A' ' 30' ' ' LEU . 18.3 mtmt -134.84 124.88 25.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.861 ' N ' HD23 ' A' ' 30' ' ' LEU . . . -151.48 173.66 30.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.97 116.96 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -109.38 162.9 18.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.862 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.96 144.71 30.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.452 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 84.3 p -81.41 -0.79 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -93.39 -23.24 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 7.3 m-85 -97.84 23.62 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.7 mm -103.87 157.81 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.78 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.25 158.94 44.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.3 tttp -122.82 129.4 51.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 15' ' ' VAL . 32.5 p -60.47 107.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.09 -51.26 64.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.9 p -176.95 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.43 156.7 32.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 136.21 20.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.9 t 58.81 162.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.1 m 70.43 -66.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -98.89 147.18 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 25.9 p90 -128.97 154.45 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -65.5 140.66 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 70' ' ' ARG . 10.3 t -72.34 -49.31 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.59 171.62 12.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 33' ' ' SER . 83.0 m -71.92 109.15 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -103.23 159.22 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.1 144.9 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -96.51 130.65 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.32 -23.69 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 164.33 16.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.51 18.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -79.39 -24.81 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CD ' ' CH2' ' A' ' 52' ' ' TRP . 52.6 mt-10 -94.21 160.47 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 57' ' ' VAL . 3.5 tp -122.98 145.84 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.2 p -92.36 132.02 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.06 160.93 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 21' ' ' THR . 0.3 OUTLIER -103.26 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -77.93 130.48 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 74.96 9.81 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -78.17 127.95 33.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -75.08 145.19 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -153.08 134.29 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.676 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -84.77 109.3 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 5.4 mm -69.16 103.52 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.0 mt -70.33 -54.46 12.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 18.2 m-85 -123.4 27.17 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 153.52 29.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.615 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.56 -168.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.416 HG23 HG23 ' A' ' 47' ' ' THR . 26.7 m -69.32 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HG23 ' A' ' 46' ' ' VAL . 2.8 p -96.9 40.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 42.04 42.48 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.45 111.5 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p -76.88 -9.16 58.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.91 -32.83 74.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.452 ' CH2' ' CD ' ' A' ' 29' ' ' GLU . 95.4 m95 -103.99 128.03 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.4 m0 -113.51 144.29 43.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 108.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 tp -91.98 123.25 35.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -128.88 151.06 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.3 tt0 -126.32 117.35 22.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 30' ' ' LEU . 78.7 t -93.44 -84.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.54 55.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.73 -31.17 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -73.19 106.82 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 8.6 mttt -99.87 137.05 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.93 148.07 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.615 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 3.5 m-85 -69.07 129.19 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -118.51 161.66 34.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 142.72 28.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.421 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 96.0 p -81.5 -4.35 55.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -21.9 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.438 ' C ' HG23 ' A' ' 19' ' ' VAL . 7.4 m-85 -103.2 35.45 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -113.35 154.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.835 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.9 154.16 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.599 HG21 ' HE3' ' A' ' 37' ' ' LYS . 12.5 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ARG . 6.7 m-85 -120.19 149.71 41.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 42.6 p90 -130.44 158.54 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -69.88 124.97 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ARG . 5.5 t -66.29 -49.47 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -122.14 156.5 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 33' ' ' SER . 25.9 m -68.49 112.59 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -102.35 157.67 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -127.46 140.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.95 134.34 39.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -112.3 164.03 16.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.06 17.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.1 -21.83 18.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 52' ' ' TRP . 27.3 mt-10 -96.54 141.74 29.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -107.55 135.97 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.4 p -84.08 127.67 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.84 143.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.609 ' HA ' HG23 ' A' ' 21' ' ' THR . 14.4 m -87.39 176.38 7.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.53 140.3 41.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.55 20.79 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -88.2 125.43 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.599 ' HE3' HG21 ' A' ' 15' ' ' VAL . 42.7 mtpt -69.56 142.0 53.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -150.38 140.11 21.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 106.91 18.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 38' ' ' LEU . 7.1 mm -69.57 98.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.0 mt -66.36 -70.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.05 156.69 28.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 92.0 m-85 -102.21 12.53 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -152.09 140.34 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 1.2 p30 -65.96 174.03 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 47' ' ' THR . 1.2 t -56.0 -54.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.538 ' N ' HG12 ' A' ' 46' ' ' VAL . 67.7 p -48.6 -34.23 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.36 81.76 1.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 48.6 t30 -165.31 131.22 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.8 p -82.3 50.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.45 -27.35 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 29' ' ' GLU . 92.1 m95 -131.76 114.19 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 37.0 m0 -90.39 143.65 26.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 41' ' ' LEU . 20.3 tp -90.96 104.12 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.6 144.4 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.68 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.1 tt0 -122.23 93.92 4.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' VAL . 47.3 t -77.0 84.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.23 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.16 16.96 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 11.3 mttm -112.29 120.22 41.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -105.19 149.87 25.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . 178.13 149.84 8.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -80.64 122.22 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.863 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -121.68 163.25 32.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 144.09 29.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 95.1 p -82.51 -1.8 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -21.17 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -100.8 26.24 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.4 mm -108.4 157.98 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -147.09 161.0 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 10.9 m-85 -126.64 150.16 49.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 51.7 p90 -131.2 154.5 48.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -65.23 126.42 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 70' ' ' ARG . 7.3 t -69.77 -42.42 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.71 164.27 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -72.01 127.26 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 64.4 t80 -122.46 163.81 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.79 149.43 37.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.35 142.41 30.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 10.85 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.498 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -141.24 164.89 32.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 1.55 7.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -127.44 39.59 3.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' CD ' ' ND2' ' A' ' 26' ' ' ASN . 50.1 mt-10 -152.5 138.2 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -110.43 143.73 40.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 p -91.16 140.18 30.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 5.3 m -146.19 152.86 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 m -98.16 179.97 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.25 147.44 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 55.51 27.13 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -96.34 123.78 40.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.74 149.71 48.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.635 HD13 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -158.7 125.46 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 106.0 9.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.635 HD11 HD13 ' A' ' 38' ' ' LEU . 9.3 mm -67.9 98.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.73 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -115.91 -173.58 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -131.82 10.38 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -156.72 142.64 17.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -65.94 -169.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.733 HG13 ' OH ' ' A' ' 63' ' ' TYR . 16.6 m -79.66 -27.21 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.3 t -86.59 8.94 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.2 40.2 34.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -103.34 111.03 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -78.56 -15.03 59.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -65.69 -19.81 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -117.97 135.09 54.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.024 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -115.76 148.04 40.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.022 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 61' ' ' LYS . 32.6 tp -96.18 114.39 26.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.71 154.64 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -126.63 105.41 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.25 104.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.9 m-20 63.42 71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 37.35 50.79 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.112 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 54' ' ' LEU . 49.8 mtmt -90.59 146.5 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -171.23 150.36 13.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.733 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.7 m-85 -83.18 118.77 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.88 163.02 22.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 142.2 27.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 97.7 p -79.89 -5.95 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.54 -19.15 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.487 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-85 -103.36 30.09 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -113.27 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.46 159.16 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.527 ' HB3' HG22 ' A' ' 69' ' ' ILE . 15.2 m-85 -119.58 156.22 30.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 33.2 p90 -141.83 145.31 34.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -54.18 118.07 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.669 HG22 ' CG ' ' A' ' 70' ' ' ARG . 42.9 t -55.6 -45.71 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.486 ' CE2' HG12 ' A' ' 19' ' ' VAL . 37.9 m-85 -134.24 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -67.97 115.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -111.42 162.37 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 143.63 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.79 116.24 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -15.81 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.96 164.25 20.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.25 14.38 19.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.539 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 32.4 mt-10 -114.34 157.89 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 57' ' ' VAL . 1.9 tp -123.04 137.24 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.6 p -86.47 127.38 34.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.8 148.99 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 15.5 m -88.45 177.47 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.68 148.92 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.9 m-80 51.81 30.73 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 44.8 tp60 -99.76 120.17 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 149.02 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -150.04 147.88 28.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 110.29 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.6 mm -71.73 110.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.6 mt -80.44 -64.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.0 166.22 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -113.98 20.96 15.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -148.68 -168.37 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -136.05 170.85 15.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 46' ' ' VAL . 1.2 m -49.15 -37.57 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 p -68.65 -31.48 70.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 96.61 57.7 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 50.1 t-20 -139.06 132.72 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -82.94 50.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.38 -36.59 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ3' ' OE2' ' A' ' 29' ' ' GLU . 97.7 m95 -111.48 106.93 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -87.49 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 41' ' ' LEU . 16.3 tp -98.38 102.34 14.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.71 140.03 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.2 tt0 -116.9 118.53 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 HD21 ' A' ' 30' ' ' LEU . 70.9 t -92.65 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.628 ' N ' HG12 ' A' ' 57' ' ' VAL . 20.1 m120 -91.7 52.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.76 -32.51 4.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.501 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.14 119.14 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -104.31 137.12 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -162.01 149.71 18.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -72.9 128.77 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -124.27 160.38 52.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.1 p -79.1 -6.27 56.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -21.7 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' O ' HD13 ' A' ' 69' ' ' ILE . 5.2 m-85 -101.04 39.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 1.7 mm -125.02 120.68 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.669 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -127.39 151.11 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 38' ' ' LEU . 16.4 m-85 -111.64 151.54 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 20.1 p90 -133.38 157.05 46.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.07 136.25 57.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.9 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.2 t -68.28 -51.49 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -122.98 175.43 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -75.07 102.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -97.53 151.38 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.6 ttpm? -127.76 142.87 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 128.93 35.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -108.79 -20.69 12.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -122.28 167.26 14.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.42 13.21 20.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.36 167.59 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 60' ' ' LYS . 2.6 tp -126.1 137.1 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.0 p -96.19 118.99 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG13 ' HG ' ' A' ' 30' ' ' LEU . 14.5 m -139.72 142.26 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -82.83 -176.13 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 146.99 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 50.35 27.73 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 36' ' ' GLN . 17.0 tp60 -86.6 127.97 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -69.01 143.17 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -151.95 148.09 27.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.48 106.83 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 38' ' ' LEU . 7.7 mm -69.86 114.16 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.45 -65.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.96 142.75 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 97.3 m-85 -87.75 39.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -158.48 176.28 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -97.95 -88.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.0 m -80.07 52.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 46' ' ' VAL . 14.6 t 49.34 35.82 8.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.78 -97.75 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -40.29 128.57 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.1 p -97.31 49.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.66 -39.94 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -111.96 144.39 41.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 107.962 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.644 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 49.9 m0 -112.42 135.37 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -83.99 108.28 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.22 139.57 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 42.5 tt0 -123.61 96.57 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.521 HG12 HD11 ' A' ' 30' ' ' LEU . 7.4 p -123.19 135.79 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.3 29.58 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.96 23.67 66.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.751 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttm -121.22 111.13 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 4.9 mtmm -88.28 155.92 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.86 156.58 13.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 21.9 m-85 -87.1 115.37 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.931 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -105.99 155.71 37.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.425 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 90.0 p -71.98 -16.51 62.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.25 -21.07 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 17.7 m-85 -102.53 38.63 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CZ3' ' A' ' 53' ' ' TRP . 7.3 mm -118.45 154.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.9 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.44 154.66 41.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.536 HG23 ' HE3' ' A' ' 37' ' ' LYS . 7.1 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 13.0 m-85 -130.7 147.29 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.5 p90 -128.03 156.66 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -65.89 127.8 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.642 HG22 ' CG ' ' A' ' 70' ' ' ARG . 6.1 t -72.91 -42.31 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -126.52 168.84 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 33' ' ' SER . 88.3 m -79.88 104.75 10.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 78.9 t80 -97.37 164.27 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 23.0 tttt -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 122.73 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -107.43 -25.39 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.414 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -110.15 164.25 15.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -119.36 22.85 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 68.7 mt-10 -126.35 145.49 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -111.0 140.32 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -90.12 132.38 35.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 16.4 m -133.96 167.34 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -110.32 172.17 7.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.37 130.32 36.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 4.8 m-20 83.57 -6.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.829 ' NE2' HD23 ' A' ' 38' ' ' LEU . 1.5 tt0 -67.81 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HE3' HG23 ' A' ' 15' ' ' VAL . 5.4 ttpt -72.68 151.83 42.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.829 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -158.27 141.46 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 106.1 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.3 mm -66.17 90.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.1 mt -56.94 -66.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -123.2 -178.89 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.595 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.0 m-85 -122.85 32.36 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -153.35 -169.96 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 7.2 p30 -147.08 -175.25 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -37.2 -75.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.566 ' H ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -37.66 -46.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.33 -16.63 9.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 21.2 p30 -46.01 170.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.8 p -120.33 27.38 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 -9.46 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 75.7 m95 -128.47 139.41 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.595 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.7 m0 -116.59 143.89 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 41' ' ' LEU . 36.7 tp -90.28 96.25 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -97.77 139.53 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.5 tt0 -120.19 115.27 23.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 58' ' ' ASN . 54.5 t -85.94 -102.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.702 ' N ' HG12 ' A' ' 57' ' ' VAL . 19.8 m-20 -102.04 60.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.11 -30.81 5.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -68.11 110.42 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.14 136.84 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -165.08 154.67 25.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 10.7 m-85 -79.64 127.59 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.57 163.61 33.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.861 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 144.11 30.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.8 p -81.91 -2.47 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.87 -20.69 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 6.6 m-85 -99.95 23.71 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.7 mm -107.72 158.98 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.642 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -145.47 156.86 43.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 69' ' ' ILE . 9.8 m-85 -106.41 153.59 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 38.3 p90 -138.19 153.2 49.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.19 130.61 46.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.8 t -70.21 -47.15 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.54 158.24 30.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 3.1 m -67.72 106.33 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 88.3 t80 -108.13 154.83 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.24 49.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -75.25 171.88 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 1.3 mpp_? -166.59 -36.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -97.0 160.56 28.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.2 Cg_endo -75.03 42.51 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 18.5 m-80 -175.76 33.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.48 142.35 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -109.71 141.51 42.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 138.73 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 11.9 m -146.38 133.82 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -79.85 -178.09 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.81 137.47 36.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 63.9 13.02 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -78.56 122.85 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -59.34 150.71 25.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -162.59 126.23 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.46 112.59 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 38' ' ' LEU . 8.9 mm -75.31 103.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -70.14 -64.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.06 152.67 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 83.4 m-85 -96.44 13.68 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 145.15 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLY . 3.5 p30 -83.83 171.18 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -48.61 -40.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -56.4 -25.85 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 101.55 -9.26 57.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.59 123.82 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.9 p -87.36 44.26 1.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -113.81 -39.01 4.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.08 127.52 47.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 107.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.604 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 45.1 m0 -104.38 134.03 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 61' ' ' LYS . 17.0 tp -78.73 107.75 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.92 144.54 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.8 tt0 -124.64 108.96 12.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -117.62 110.92 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.2 m-20 58.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 36.84 56.51 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -154.25 106.36 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB3' HD11 ' A' ' 54' ' ' LEU . 12.1 mttm -86.2 150.5 24.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.27 152.61 17.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.49 123.73 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -122.84 162.85 36.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.247 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.841 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.02 143.63 29.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.4 p -79.23 -3.34 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -90.47 -22.17 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.1 m-85 -101.7 34.51 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.761 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.1 mm -115.72 151.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.605 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.9 159.29 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 7.2 m-85 -118.43 147.95 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 49.1 p90 -129.14 154.48 46.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.51 136.97 57.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG3' ' A' ' 70' ' ' ARG . 3.4 t -85.02 -52.65 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.07 150.99 33.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -62.72 105.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB3' HG22 ' A' ' 32' ' ' VAL . 53.8 t80 -92.6 166.42 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -143.9 146.14 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 119.85 22.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -102.7 -24.54 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -120.13 164.11 24.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.09 9.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -117.21 26.47 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 25.0 mt-10 -133.76 153.82 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -114.99 141.98 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -89.59 135.05 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 22' ' ' PHE . 35.6 m -137.65 168.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 58.2 m -112.91 178.72 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 144.88 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.2 m-20 57.92 26.35 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -94.28 124.47 38.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.24 148.92 49.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -161.98 130.9 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 107.87 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 38' ' ' LEU . 7.3 mm -69.35 99.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.61 -69.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -119.55 179.22 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 91.4 m-85 -127.42 28.39 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -169.45 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 1.3 p30 -141.0 170.45 15.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 47' ' ' THR . 8.9 m -41.56 -55.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.502 ' H ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -52.73 -40.74 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 104.89 59.27 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 51' ' ' GLU . 41.2 t-20 -138.02 134.91 35.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 30.3 p -83.21 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.609 ' CD ' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -114.18 -25.54 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.609 ' CD1' ' CD ' ' A' ' 51' ' ' GLU . 97.3 m95 -123.0 109.14 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 38.3 m0 -87.85 143.68 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -93.72 104.48 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.63 142.8 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.81 115.85 25.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 58' ' ' ASN . 76.5 t -91.35 -98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.588 ' N ' HG12 ' A' ' 57' ' ' VAL . 26.4 m-80 -89.53 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.82 -28.06 7.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.835 ' O ' HD13 ' A' ' 30' ' ' LEU . 69.3 mttt -70.18 104.12 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -84.15 139.25 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -161.84 146.83 12.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -72.36 118.72 15.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.09 164.36 15.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.866 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.91 145.34 31.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.6 p -86.56 5.8 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.51 -28.82 13.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 18.0 m-30 -97.53 43.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.837 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.5 mm -120.77 154.58 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.98 156.82 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.411 ' HB3' HG22 ' A' ' 69' ' ' ILE . 12.3 m-85 -104.79 152.43 22.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -134.46 156.47 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -72.7 76.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.759 HG13 ' CD2' ' A' ' 20' ' ' TYR . 7.1 p -39.78 -30.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.759 ' CD2' HG13 ' A' ' 19' ' ' VAL . 63.1 m-85 -127.77 140.84 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.43 137.58 58.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 65' ' ' PRO . 24.4 t80 -135.72 151.94 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.75 141.83 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -84.96 92.37 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -77.29 -19.42 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -117.77 163.36 24.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.01 21.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.76 -16.94 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -86.18 148.13 25.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 55' ' ' ALA . 1.9 tp -106.91 140.46 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 p -95.13 125.13 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.647 HG12 HG21 ' A' ' 57' ' ' VAL . 3.1 m -140.29 133.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.3 m -75.3 -176.95 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -76.3 155.94 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 18.3 p30 41.78 34.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -101.28 121.98 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 146.5 48.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -153.39 148.9 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 14.0 tppt? -91.14 115.81 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 38' ' ' LEU . 4.7 mm -82.66 88.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.828 HD12 ' HG ' ' A' ' 54' ' ' LEU . 71.3 mt -59.47 -65.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.23 179.62 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 56.6 m-85 -126.29 25.71 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -143.07 -165.88 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.77 173.57 11.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 47' ' ' THR . 10.1 m -42.83 -58.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.597 ' H ' HG23 ' A' ' 46' ' ' VAL . 53.9 p -50.38 -41.54 52.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.29 32.93 2.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -103.34 135.88 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 p -85.11 47.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -116.67 -36.61 3.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 95.5 m95 -107.75 125.53 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 41.9 m0 -102.26 154.28 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.828 ' HG ' HD12 ' A' ' 41' ' ' LEU . 10.2 tp -96.45 98.61 10.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -88.73 141.33 28.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HB2' HD11 ' A' ' 41' ' ' LEU . 25.2 tt0 -125.19 97.85 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 32' ' ' VAL . 93.2 t -92.86 76.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 54.16 69.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.78 -50.31 2.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.1 mmtp -54.33 104.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.74 143.12 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.92 160.21 24.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.543 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.0 m-85 -84.04 138.28 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.749 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -136.8 169.44 13.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.749 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.0 135.27 18.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 83.8 p -73.94 -4.63 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -88.07 -22.39 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.589 ' CD2' ' HB2' ' A' ' 20' ' ' TYR . 3.0 m-85 -93.48 8.41 40.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 ' O ' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -108.0 103.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -118.76 138.65 52.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 tttm . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.663 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.0 m-85 -100.27 153.51 19.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 32.2 p90 -137.51 155.73 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -71.95 139.82 48.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.836 HG22 ' HG3' ' A' ' 70' ' ' ARG . 1.8 t -83.63 -48.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -118.36 141.42 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 34' ' ' ALA . 15.9 m -58.16 103.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 46.9 t80 -86.95 166.46 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -138.64 126.77 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.9 131.29 41.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.05 -22.87 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -121.48 164.5 24.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -98.29 -16.42 19.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' CD ' ' OD1' ' A' ' 26' ' ' ASN . 95.8 mt-10 -96.97 142.66 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.0 p -86.15 133.22 33.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.8 m -136.49 148.02 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -92.87 168.69 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -68.92 142.19 54.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 60.92 23.83 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 54.1 tp60 -86.08 157.29 20.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.862 ' C ' HD13 ' A' ' 38' ' ' LEU . 7.3 tttt -99.66 133.07 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.862 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -140.47 154.82 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 13.0 tppt? -104.7 114.04 28.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.591 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -77.36 92.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 56' ' ' GLU . 88.4 mt -66.92 -60.99 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.07 157.63 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.38 29.11 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -173.66 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.834 ' OD2' HG22 ' A' ' 47' ' ' THR . 55.6 p30 -133.36 -169.19 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.78 HG13 ' OH ' ' A' ' 63' ' ' TYR . 11.4 m -66.25 -35.97 76.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.834 HG22 ' OD2' ' A' ' 45' ' ' ASP . 14.9 t -91.1 31.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.73 63.1 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 35.0 t-20 -130.5 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -59.9 -22.28 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -51.6 -29.09 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -113.3 127.95 56.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -111.43 143.24 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 41' ' ' LEU . 8.2 tp -86.58 101.27 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -94.37 150.26 20.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HB2' HD11 ' A' ' 41' ' ' LEU . 32.7 tt0 -134.43 104.86 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 57' ' ' VAL . 54.5 t -100.78 74.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 62.63 69.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.65 -50.62 4.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -55.53 109.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 5.0 mtmp? -111.25 159.13 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.3 163.37 24.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.088 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.78 ' OH ' HG13 ' A' ' 46' ' ' VAL . 14.2 m-85 -91.14 126.65 36.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.59 167.0 13.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.865 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.01 139.97 24.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.449 1.763 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.404 ' HA ' HG13 ' A' ' 69' ' ' ILE . 88.2 p -80.94 1.25 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -92.83 -33.93 14.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 19.8 m-30 -93.78 41.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -116.92 163.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.836 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -162.31 154.58 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -138.38 147.29 43.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 9.2 p90 -131.26 149.56 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -57.2 130.32 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.891 HG22 ' CG ' ' A' ' 70' ' ' ARG . 32.2 t -61.83 -53.09 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -124.98 165.75 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 33' ' ' SER . 94.7 m -65.33 110.28 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -104.19 151.03 23.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -123.21 136.34 54.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 122.44 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.8 -22.3 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -106.51 165.93 12.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.83 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -83.43 -37.19 23.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.19 149.95 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -113.23 135.34 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -85.07 127.85 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 38' ' ' LEU . 19.7 m -138.82 129.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.598 ' HA ' HG23 ' A' ' 21' ' ' THR . 2.2 m -74.06 -176.51 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -77.21 138.35 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 58.82 23.43 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.5 tp60 -88.0 119.38 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 150.19 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.832 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -155.14 148.96 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 109.08 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD12 ' A' ' 38' ' ' LEU . 5.1 mm -73.97 108.92 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.9 mt -75.2 -61.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.09 153.86 46.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.33 28.31 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 3.2 ptpt -151.6 153.95 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 10.1 t0 -72.29 -155.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 63' ' ' TYR . 12.0 m -78.17 -27.91 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 49' ' ' ASN . 11.7 t -98.33 44.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.85 28.12 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.604 ' HB2' HG23 ' A' ' 47' ' ' THR . 45.6 t30 -89.84 127.43 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 p -82.49 50.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -118.93 -38.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -113.04 143.41 44.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.658 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 41.0 m0 -112.97 132.36 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 41' ' ' LEU . 54.5 tp -79.08 96.04 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -92.62 147.81 22.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD11 ' A' ' 41' ' ' LEU . 35.1 tt0 -138.52 94.35 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 30' ' ' LEU . 11.3 p -119.82 148.65 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 60.59 20.86 10.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.62 80.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.166 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.803 ' O ' HD13 ' A' ' 30' ' ' LEU . 9.9 mttt -112.96 108.36 17.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 25.1 mtpt -78.85 152.08 31.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 54' ' ' LEU . . . 178.54 163.12 29.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 39.5 m-85 -100.91 124.38 46.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.852 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.4 164.1 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.852 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.01 144.55 30.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.45 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.7 p -81.71 -1.37 46.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -91.07 -24.64 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.444 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.3 m-85 -102.22 35.23 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 65' ' ' PRO . 7.3 mm -111.16 152.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.73 154.19 42.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 tttp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.681 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-85 -105.97 156.93 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 30.7 p90 -135.21 155.51 50.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -69.98 137.03 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.4 t -71.46 -48.28 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.503 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 6.8 m-85 -132.1 154.99 48.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -57.07 102.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 55.8 t80 -86.91 168.74 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -141.34 135.54 30.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.39 136.58 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -113.34 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 164.32 16.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.15 9.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -105.55 -23.38 12.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 79.4 mt-10 -87.43 141.13 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -107.54 140.9 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.9 p -84.49 136.73 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.514 HG12 HG21 ' A' ' 57' ' ' VAL . 3.3 m -133.62 146.68 31.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -85.95 171.63 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -78.05 141.21 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 63.53 14.3 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 30.3 tp60 -81.27 155.99 25.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.883 ' C ' HD13 ' A' ' 38' ' ' LEU . 8.3 mtpm? -98.35 135.19 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -136.2 133.54 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.741 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.1 112.01 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 43' ' ' PHE . 4.8 mm -72.1 111.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.741 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -83.21 -58.4 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -134.86 143.47 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 40' ' ' ILE . 88.5 m-85 -92.03 27.01 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 148.48 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 8.3 p30 -102.36 173.03 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 47' ' ' THR . 16.2 m -45.89 -48.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 46' ' ' VAL . 57.5 p -51.53 -33.01 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.15 66.7 1.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 33.4 t30 -128.32 8.74 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ASN . 11.5 p 37.78 34.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -113.26 -31.72 6.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 98.4 m95 -105.6 107.85 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.426 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.4 m0 -90.0 130.29 36.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.491 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.2 tp -78.8 101.61 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.631 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -107.24 142.81 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.738 ' HB2' HD11 ' A' ' 41' ' ' LEU . 53.8 tt0 -123.27 117.96 26.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 58' ' ' ASN . 73.2 t -103.47 -103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -73.26 80.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 36.81 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 1.7 mttm -135.91 130.05 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 7.8 mttp -99.68 148.01 24.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -166.25 147.86 12.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -78.87 109.58 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.859 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -103.59 162.37 20.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.859 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -81.33 -3.03 51.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -21.09 22.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.473 ' C ' HD13 ' A' ' 69' ' ' ILE . 17.9 m-85 -103.07 35.65 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -117.69 146.93 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG2' HG22 ' A' ' 19' ' ' VAL . 1.6 mmp_? -138.46 154.33 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 5.7 m-85 -114.25 150.24 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 7.0 p90 -137.5 159.17 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -74.4 126.32 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.79 HG22 ' HG2' ' A' ' 70' ' ' ARG . 17.3 t -55.43 -57.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -115.71 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 33' ' ' SER . 20.6 m -85.07 108.56 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 79.2 t80 -103.58 162.34 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.9 tptt -140.85 151.48 44.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.42 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.01 -25.53 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.262 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -117.49 161.34 34.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.5 Cg_endo -74.92 55.3 3.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 24.3 m-80 -166.42 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.52 147.69 44.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -105.79 136.84 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 137.09 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' PHE . 35.8 m -147.29 129.35 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 21' ' ' THR . 62.7 m -75.1 -173.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.85 139.28 37.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 60.99 20.67 11.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -83.31 114.09 21.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.27 144.65 19.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -154.01 134.3 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.76 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -88.08 110.81 20.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.432 HD11 HD13 ' A' ' 38' ' ' LEU . 5.1 mm -70.36 107.91 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 56' ' ' GLU . 18.3 mt -75.47 -68.95 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.53 167.94 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 94.2 m-85 -112.76 31.34 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 -170.61 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.855 ' OD2' HG22 ' A' ' 47' ' ' THR . 51.9 p30 -132.18 -170.01 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' OH ' ' A' ' 63' ' ' TYR . 3.4 m -66.1 -36.51 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.855 HG22 ' OD2' ' A' ' 45' ' ' ASP . 12.5 t -90.39 32.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.48 61.69 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.5 t-20 -125.76 127.94 46.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.8 p -89.8 39.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.91 -22.95 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.501 ' CE3' ' C ' ' A' ' 64' ' ' VAL . 56.5 m95 -133.52 114.75 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 50.4 m0 -86.82 173.5 9.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.9 tp -113.97 104.88 12.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.804 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -105.87 140.8 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.92 ' HB2' HD11 ' A' ' 41' ' ' LEU . 34.1 tt0 -118.49 97.79 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 HD21 ' A' ' 30' ' ' LEU . 32.8 m -115.57 135.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 57.28 55.36 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.96 35.03 1.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -129.61 122.39 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -96.39 139.15 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.1 138.59 4.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' HG13 ' A' ' 46' ' ' VAL . 5.0 m-85 -69.91 116.02 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -101.48 156.84 34.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 98.5 p -53.65 -19.78 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.93 -17.8 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 8.0 m-85 -112.02 41.2 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 30.8 mm -113.49 162.69 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.79 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -165.82 156.95 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG11 ' HE3' ' A' ' 37' ' ' LYS . 18.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.672 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.0 m-85 -115.1 156.27 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 33.3 p90 -136.23 146.28 46.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.633 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -52.58 123.77 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 70' ' ' ARG . 12.9 t -68.8 -23.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 56.1 m-85 -153.13 153.58 33.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.14 120.2 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 54.3 t80 -120.11 163.05 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 53.6 tttm -134.24 146.06 49.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.64 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -101.14 -29.86 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -113.25 164.3 16.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -103.45 -20.5 14.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.537 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.7 mt-10 -81.76 171.95 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD21 HG23 ' A' ' 57' ' ' VAL . 1.8 tp -136.49 141.94 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.9 p -85.56 132.11 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.76 124.0 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -70.41 178.27 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.75 144.35 33.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 61.89 13.75 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 34.4 tp60 -78.62 152.64 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.944 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.6 mtpt -98.71 135.93 39.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -134.92 145.75 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 105.88 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.3 mm -66.87 107.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 54' ' ' LEU . 76.6 mt -83.05 -58.37 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.9 160.58 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 40' ' ' ILE . 56.2 m-85 -109.76 31.41 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -158.73 170.3 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 42.2 p30 -108.63 -176.1 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.658 HG13 ' OH ' ' A' ' 63' ' ' TYR . 8.9 m -62.49 -20.54 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.417 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 1.5 p -99.61 33.73 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.76 45.76 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 19.1 t30 -113.51 122.38 47.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -82.67 50.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.96 -35.6 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 83.9 m95 -109.69 131.3 55.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.2 m0 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.1 tp -80.8 94.39 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -95.8 149.44 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 41' ' ' LEU . 10.2 tt0 -128.54 119.36 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.623 HG12 ' N ' ' A' ' 58' ' ' ASN . 58.8 t -93.19 -98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.623 ' N ' HG12 ' A' ' 57' ' ' VAL . 24.2 m-20 -103.51 55.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.08 -33.21 4.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -67.02 108.98 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 14.3 mttp -102.18 137.98 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -164.85 154.51 25.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.658 ' OH ' HG13 ' A' ' 46' ' ' VAL . 6.7 m-85 -76.74 121.19 22.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.16 163.95 18.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 143.99 29.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 91.9 p -82.45 -13.74 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -80.96 -17.23 51.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.422 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.0 m-85 -105.0 30.4 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.7 mm -115.69 136.63 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 1.014 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.2 tpt180 -122.58 153.64 39.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tttp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' LEU . 23.5 m-85 -118.54 148.75 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 45.7 p90 -130.36 153.15 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -66.87 132.83 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.68 HG22 ' CG ' ' A' ' 70' ' ' ARG . 15.7 t -72.73 -48.3 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.47 148.2 44.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.6 m -58.8 101.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 76.9 t80 -93.42 171.27 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -149.78 147.51 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -76.78 173.31 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.518 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -165.4 -36.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -98.06 165.25 15.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.449 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.3 Cg_endo -75.04 55.23 3.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 15.4 m-80 -174.39 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -62.14 144.59 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -116.5 145.22 43.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -86.79 129.19 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 57' ' ' VAL . 16.1 m -135.66 149.14 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -88.73 174.95 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -77.55 140.81 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.7 m-20 58.74 24.2 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -93.49 122.93 36.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -65.79 144.55 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.19 107.66 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.4 mm -66.39 120.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.084 ' CB ' HD13 ' A' ' 54' ' ' LEU . 25.8 mt -91.42 -28.56 17.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 20.3 mt-10 -162.51 171.23 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.601 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 50.8 m-85 -117.75 14.64 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -161.7 130.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.551 ' CG ' HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -63.52 172.14 2.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' GLY . 9.3 m -47.23 -52.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' CG ' ' A' ' 45' ' ' ASP . 1.5 t -41.69 -27.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' VAL . . . 105.25 -23.14 31.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 47' ' ' THR . 37.0 t-20 -53.3 135.97 37.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 44' ' ' LYS . 57.8 p -96.02 41.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.06 -27.96 11.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.28 141.59 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 26.8 m0 -114.08 140.69 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.084 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -81.04 123.92 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.438 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.02 135.35 48.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -125.33 108.69 11.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 30' ' ' LEU . 83.4 t -88.27 -106.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.664 ' N ' HG12 ' A' ' 57' ' ' VAL . 72.1 m-20 -79.16 87.29 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.24 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' ASN . 4.2 mttm -127.71 107.6 10.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -78.97 150.58 31.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -174.54 153.44 16.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.4 m-85 -94.03 135.3 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.65 165.86 21.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.731 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.1 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.7 p -81.81 5.86 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 -24.17 14.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.07 28.82 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.4 mm -107.04 158.97 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.68 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -149.0 160.28 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.8 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG1' ' HE2' ' A' ' 37' ' ' LYS . 57.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.79 148.54 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 39.0 p90 -128.34 149.54 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -61.98 130.93 47.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' CG ' ' A' ' 70' ' ' ARG . 11.3 t -64.68 -44.76 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -133.14 164.13 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -65.98 106.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 67.8 t80 -100.08 150.58 22.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 144.43 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -73.78 171.83 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -164.42 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -99.7 164.85 15.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 5.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -131.77 34.93 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 26' ' ' ASN . 2.9 mt-10 -131.53 159.5 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HG23 ' A' ' 57' ' ' VAL . 1.4 tp -126.36 148.78 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -97.25 122.34 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 57' ' ' VAL . 19.0 m -129.18 174.55 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -114.44 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.11 136.48 37.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.65 17.26 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -86.72 119.06 26.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 15' ' ' VAL . 2.2 ttmt -60.51 149.54 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -152.2 133.32 14.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 108.45 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.2 mm -66.38 118.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.072 ' CB ' HD13 ' A' ' 54' ' ' LEU . 20.3 mt -89.65 -30.67 17.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 24.5 mt-10 -161.92 171.46 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 62.1 m-85 -117.8 11.05 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 134.01 9.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.82 173.95 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 47' ' ' THR . 16.0 m -45.58 -57.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.54 ' H ' HG23 ' A' ' 46' ' ' VAL . 40.8 p -38.02 -35.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.57 -8.46 30.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.35 139.91 58.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -101.44 36.11 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.64 -24.32 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 75.7 m95 -118.27 144.59 45.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 28.1 m0 -116.64 146.18 42.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.072 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -86.39 126.54 34.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.89 142.41 50.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.4 tt0 -127.47 103.27 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.023 HG23 HD21 ' A' ' 30' ' ' LEU . 86.1 t -77.7 -106.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 57' ' ' VAL . 3.2 t-20 -83.82 50.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -26.37 7.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.875 ' O ' HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -68.78 105.27 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 mtmt -84.42 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.98 156.88 22.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.1 m-85 -90.49 135.36 33.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.24 166.44 15.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.832 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.97 143.45 29.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -77.63 -1.07 29.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.17 -20.7 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 7.7 m-85 -103.16 35.75 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.565 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.8 mm -117.17 155.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.822 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -147.55 149.88 33.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.06 150.45 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 41.0 p90 -136.45 152.2 50.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.94 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 70' ' ' ARG . 5.5 t -79.35 -39.5 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 41.6 m-85 -129.63 172.17 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 33' ' ' SER . 97.7 m -83.69 94.55 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 88.8 t80 -91.13 169.13 11.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 1.5 ttmt -149.98 143.04 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.31 129.91 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -111.24 -19.19 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.35 164.1 23.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -166.14 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.78 177.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.736 HD12 HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.59 152.96 50.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.625 ' N ' HD13 ' A' ' 30' ' ' LEU . 3.4 p -103.86 103.99 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG13 HD12 ' A' ' 30' ' ' LEU . 33.3 m -130.65 125.59 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.721 ' HA ' HG23 ' A' ' 21' ' ' THR . 71.9 m -75.54 -178.36 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.88 141.36 40.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 58.33 24.35 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -93.41 123.11 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -59.3 150.08 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -158.15 125.99 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.99 111.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.4 mm -70.07 108.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 39' ' ' LYS . 27.9 mt -78.99 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -120.8 -176.46 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 85.5 m-85 -131.72 38.28 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 154.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.514 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 17.3 p-10 -108.54 -174.91 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 47' ' ' THR . 22.8 m -48.32 -47.92 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 46' ' ' VAL . 81.0 p -51.5 -21.68 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 -26.7 15.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 48.3 t-20 -53.61 139.73 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 9.7 p -91.9 39.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . 2.7 mt-10 -107.85 -19.2 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -111.37 106.32 15.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.3 m0 -91.66 142.4 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 41' ' ' LEU . 17.7 tp -91.16 101.36 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.36 148.32 26.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -112.83 117.51 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 30' ' ' LEU . 14.0 t -137.7 136.86 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 52.6 35.81 19.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.65 7.45 47.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -104.62 127.2 52.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 0.733 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -109.46 128.1 54.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.563 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -150.76 161.88 29.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 7.8 m-85 -82.31 108.23 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -102.99 160.49 26.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.99 146.1 32.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 87.7 p -80.51 -10.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.72 -21.27 34.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.485 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.5 m-85 -102.44 35.57 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 65' ' ' PRO . 5.3 mm -115.94 152.9 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.908 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.02 154.33 38.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.71 ' O ' HD22 ' A' ' 38' ' ' LEU . 10.8 m-85 -120.12 153.14 36.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 48.5 p90 -133.79 158.51 43.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -71.91 121.83 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 70' ' ' ARG . 4.5 t -63.91 -29.57 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 42.3 m-85 -141.99 160.26 40.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.3 m -68.3 113.96 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' NE ' ' A' ' 25' ' ' ARG . 78.2 t80 -111.24 128.07 55.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.9 mmtt -114.84 109.45 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' LYS . . . -27.52 138.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -117.31 -14.14 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -132.85 161.99 60.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.43 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.803 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -167.08 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.59 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.6 mt-10 -65.28 150.58 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -107.1 138.93 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 24' ' ' ALA . 18.9 m -85.95 119.43 26.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 15.6 m -119.54 116.37 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.06 174.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.92 127.73 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 9.5 m-20 82.98 -2.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 7.8 tp60 -63.52 150.04 44.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.851 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.7 mtpm? -98.06 134.35 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.55 137.76 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.763 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -93.32 108.24 19.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.9 mm -64.03 113.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.939 HD11 ' HB2' ' A' ' 56' ' ' GLU . 26.6 mt -87.87 -62.52 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.28 156.5 38.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -106.06 32.26 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -153.36 -164.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -147.38 174.53 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.616 HG23 ' H ' ' A' ' 47' ' ' THR . 5.8 m -41.8 -60.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.616 ' H ' HG23 ' A' ' 46' ' ' VAL . 62.8 p -49.93 -34.99 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 102.39 30.19 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 53.0 t-20 -102.59 135.76 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p -86.26 45.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -111.45 -30.53 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 89.1 m95 -111.52 128.5 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.424 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.7 m0 -105.45 139.32 40.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -87.67 101.07 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.08 132.99 49.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.939 ' HB2' HD11 ' A' ' 41' ' ' LEU . 31.6 tt0 -108.15 109.04 20.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.744 ' CG2' HD11 ' A' ' 30' ' ' LEU . 7.1 m -130.76 134.31 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 61.16 44.24 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.8 34.85 22.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -131.58 122.28 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -95.5 132.38 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.66 140.44 6.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -68.41 142.48 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -138.91 163.24 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 144.6 30.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.457 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 86.5 p -84.12 -1.22 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.85 -19.5 21.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 6.3 m-85 -103.22 25.29 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.707 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.9 mm -107.2 164.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.62 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -156.46 160.2 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.325 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 7.0 ttpt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -102.35 146.43 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 31.5 p90 -128.3 150.37 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.2 143.84 56.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.786 HG22 ' HG3' ' A' ' 70' ' ' ARG . 2.6 t -92.18 -49.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -116.45 135.55 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -49.48 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' VAL . 46.5 t80 -87.73 163.28 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 135.02 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.48 108.34 19.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -90.05 -28.16 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.51 163.24 18.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.21 21.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -90.56 -22.65 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 81.9 mt-10 -87.46 143.1 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -103.89 129.88 51.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -80.99 138.65 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 38' ' ' LEU . 33.5 m -148.85 146.68 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -91.79 179.13 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.7 132.57 37.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' ALA . 40.7 m-20 68.88 16.04 8.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -86.15 113.98 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -60.32 138.93 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -146.97 141.68 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -82.3 122.84 28.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 14.1 mm -93.12 115.67 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.677 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.9 mp -87.24 -58.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -119.01 -177.83 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.621 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.1 m-85 -132.99 14.34 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 149.61 19.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.629 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -72.42 -169.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -39.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.43 ' H ' HG23 ' A' ' 47' ' ' THR . 32.0 p -59.04 -26.84 64.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.44 -26.61 9.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -50.1 129.83 21.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 p -89.19 37.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.12 -36.57 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 85.1 m95 -105.06 134.55 47.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.621 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 23.0 m0 -114.15 141.18 47.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -86.09 126.32 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -131.09 152.53 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.57 87.59 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.2 p -122.07 123.76 69.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.1 t-20 83.35 26.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.58 68.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.741 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttp -128.31 116.84 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.47 156.68 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.34 149.84 6.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 4.5 m-85 -76.03 135.09 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -119.83 161.44 38.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.924 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 139.29 23.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.9 p -81.44 5.0 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -99.02 -24.66 14.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 14.4 m-30 -104.59 47.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.9 mm -122.78 152.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.786 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.69 154.68 40.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 26.7 m-85 -120.89 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 43.3 p90 -133.75 156.27 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -68.42 131.09 44.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.78 HG22 ' HG2' ' A' ' 70' ' ' ARG . 12.5 t -67.53 -43.36 87.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 32.3 m-85 -127.45 172.48 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -77.81 101.56 6.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.438 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 65' ' ' PRO . 16.1 t80 -110.24 128.48 55.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -110.93 156.3 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -97.54 142.22 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 12.98 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -142.19 165.21 28.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.65 7.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -128.76 42.21 3.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -144.79 168.89 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -137.72 147.88 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -95.96 115.14 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 30' ' ' LEU . 17.7 m -131.18 117.99 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 24.9 m -67.93 179.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.83 143.96 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 48.34 29.62 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -93.01 119.48 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -63.46 138.07 58.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -142.25 139.16 31.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 106.7 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mm -68.15 101.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.22 -62.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -124.01 -177.24 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -130.8 24.49 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 149.41 11.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.697 ' CG ' HG22 ' A' ' 47' ' ' THR . 35.9 p30 -87.19 -173.33 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -69.55 -28.16 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.697 HG22 ' CG ' ' A' ' 45' ' ' ASP . 14.5 t -91.29 26.42 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.86 69.96 0.72 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 7.1 t-20 -141.55 100.4 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -63.72 -12.88 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.07 -21.91 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 83.2 m95 -124.93 137.57 54.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -114.12 146.64 40.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 62' ' ' GLY . 14.0 tp -93.12 108.92 20.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.08 156.62 20.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.5 tt0 -122.31 121.53 36.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 32' ' ' VAL . 77.4 t -114.21 74.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 61.19 68.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -55.52 3.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -54.6 125.66 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.695 ' C ' HD23 ' A' ' 30' ' ' LEU . 18.3 mtmt -134.84 124.88 25.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.861 ' N ' HD23 ' A' ' 30' ' ' LEU . . . -151.48 173.66 30.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.97 116.96 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -109.38 162.9 18.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.862 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.96 144.71 30.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.452 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 84.3 p -81.41 -0.79 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -93.39 -23.24 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 7.3 m-85 -97.84 23.62 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.7 mm -103.87 157.81 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.78 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.25 158.94 44.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.3 tttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 63.63 80.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 m -156.62 159.31 38.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.33 -164.82 34.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -108.03 151.94 25.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.67 143.73 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.92 130.01 1.08 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.3 m -110.51 -72.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.25 -54.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.01 170.26 14.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -145.52 166.49 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.22 150.5 8.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.117 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.77 94.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -145.84 123.89 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 72' ' ' THR . 71.8 t -137.44 92.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -98.89 147.18 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 25.9 p90 -128.97 154.45 46.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -65.5 140.66 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 70' ' ' ARG . 10.3 t -72.34 -49.31 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.59 171.62 12.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 33' ' ' SER . 83.0 m -71.92 109.15 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -103.23 159.22 15.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.1 144.9 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -96.51 130.65 43.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.32 -23.69 14.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.66 164.33 16.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.51 18.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -79.39 -24.81 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CD ' ' CH2' ' A' ' 52' ' ' TRP . 52.6 mt-10 -94.21 160.47 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 57' ' ' VAL . 3.5 tp -122.98 145.84 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.2 p -92.36 132.02 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.06 160.93 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.472 ' HA ' HG23 ' A' ' 21' ' ' THR . 0.3 OUTLIER -103.26 175.93 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -77.93 130.48 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 74.96 9.81 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -78.17 127.95 33.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -75.08 145.19 42.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -153.08 134.29 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.676 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -84.77 109.3 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 5.4 mm -69.16 103.52 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.0 mt -70.33 -54.46 12.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 18.2 m-85 -123.4 27.17 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 153.52 29.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.615 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.56 -168.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG23 HG23 ' A' ' 47' ' ' THR . 26.7 m -69.32 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HG23 ' A' ' 46' ' ' VAL . 2.8 p -96.9 40.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 42.04 42.48 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.45 111.5 23.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.5 p -76.88 -9.16 58.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.91 -32.83 74.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.452 ' CH2' ' CD ' ' A' ' 29' ' ' GLU . 95.4 m95 -103.99 128.03 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.4 m0 -113.51 144.29 43.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 108.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.8 tp -91.98 123.25 35.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -128.88 151.06 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.3 tt0 -126.32 117.35 22.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.157 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 30' ' ' LEU . 78.7 t -93.44 -84.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.54 55.83 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.73 -31.17 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -73.19 106.82 5.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 8.6 mttt -99.87 137.05 38.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.93 148.07 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.615 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 3.5 m-85 -69.07 129.19 39.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -118.51 161.66 34.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 142.72 28.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.421 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 96.0 p -81.5 -4.35 55.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -21.9 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.438 ' C ' HG23 ' A' ' 19' ' ' VAL . 7.4 m-85 -103.2 35.45 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -113.35 154.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.835 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -149.9 154.16 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -114.91 137.97 51.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 15' ' ' VAL . 65.6 p -74.44 102.78 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.421 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -138.36 76.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.78 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.89 153.38 0.85 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.33 2.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 111.027 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -67.77 164.12 20.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.13 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 66.52 133.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -171.92 150.75 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.16 149.04 21.04 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -157.4 133.92 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 0.724 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -172.92 169.54 4.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.053 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.72 -110.57 0.37 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m 178.15 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -172.02 135.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.68 136.0 33.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.19 83.23 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.61 149.34 10.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.94 104.88 14.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -146.31 154.74 42.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.599 HG21 ' HE3' ' A' ' 37' ' ' LYS . 12.5 p -166.19 120.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ARG . 6.7 m-85 -120.19 149.71 41.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' HE2' ' HG1' ' A' ' 72' ' ' THR . 42.6 p90 -130.44 158.54 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -69.88 124.97 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ARG . 5.5 t -66.29 -49.47 75.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -122.14 156.5 33.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 33' ' ' SER . 25.9 m -68.49 112.59 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -102.35 157.67 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -127.46 140.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.95 134.34 39.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -112.3 164.03 16.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -6.06 17.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.1 -21.83 18.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 52' ' ' TRP . 27.3 mt-10 -96.54 141.74 29.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -107.55 135.97 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.4 p -84.08 127.67 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.84 143.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.609 ' HA ' HG23 ' A' ' 21' ' ' THR . 14.4 m -87.39 176.38 7.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.53 140.3 41.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.55 20.79 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -88.2 125.43 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.599 ' HE3' HG21 ' A' ' 15' ' ' VAL . 42.7 mtpt -69.56 142.0 53.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -150.38 140.11 21.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 106.91 18.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 HD11 HD13 ' A' ' 38' ' ' LEU . 7.1 mm -69.57 98.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.0 mt -66.36 -70.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.05 156.69 28.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 92.0 m-85 -102.21 12.53 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -152.09 140.34 20.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 1.2 p30 -65.96 174.03 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 47' ' ' THR . 1.2 t -56.0 -54.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.538 ' N ' HG12 ' A' ' 46' ' ' VAL . 67.7 p -48.6 -34.23 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.36 81.76 1.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 48.6 t30 -165.31 131.22 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.8 p -82.3 50.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.45 -27.35 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 29' ' ' GLU . 92.1 m95 -131.76 114.19 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 37.0 m0 -90.39 143.65 26.55 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 41' ' ' LEU . 20.3 tp -90.96 104.12 16.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.6 144.4 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.68 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.1 tt0 -122.23 93.92 4.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' VAL . 47.3 t -77.0 84.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.23 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.16 16.96 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 11.3 mttm -112.29 120.22 41.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -105.19 149.87 25.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . 178.13 149.84 8.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -80.64 122.22 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.863 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -121.68 163.25 32.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.863 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 144.09 29.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.445 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 95.1 p -82.51 -1.8 51.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -21.17 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -100.8 26.24 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.4 mm -108.4 157.98 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -147.09 161.0 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.53 128.98 55.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.551 ' HG1' ' HE2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -107.57 169.12 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 72' ' ' THR . 8.9 mt-10 -118.33 133.48 55.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 97.9 p -112.57 160.51 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 151.78 23.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.0 4.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -43.57 140.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.84 128.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t 62.78 136.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 164.02 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.19 98.3 1.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -153.84 166.87 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.52 139.97 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.62 -158.92 14.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.5 m 63.16 128.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.51 84.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.55 123.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -114.83 138.7 50.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.42 164.33 25.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -98.77 92.99 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -163.79 151.62 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.517 ' CG1' HG22 ' A' ' 72' ' ' THR . 10.0 p -168.07 121.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 10.9 m-85 -126.64 150.16 49.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 51.7 p90 -131.2 154.5 48.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -65.23 126.42 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 70' ' ' ARG . 7.3 t -69.77 -42.42 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.71 164.27 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -72.01 127.26 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 64.4 t80 -122.46 163.81 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.79 149.43 37.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -98.35 142.41 30.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 10.85 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.498 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -141.24 164.89 32.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 1.55 7.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -127.44 39.59 3.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' CD ' ' ND2' ' A' ' 26' ' ' ASN . 50.1 mt-10 -152.5 138.2 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -110.43 143.73 40.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 p -91.16 140.18 30.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 5.3 m -146.19 152.86 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 m -98.16 179.97 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.25 147.44 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 55.51 27.13 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -96.34 123.78 40.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.74 149.71 48.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.635 HD13 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -158.7 125.46 4.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 106.0 9.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.635 HD11 HD13 ' A' ' 38' ' ' LEU . 9.3 mm -67.9 98.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 mt -64.73 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -115.91 -173.58 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -131.82 10.38 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -156.72 142.64 17.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -65.94 -169.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.733 HG13 ' OH ' ' A' ' 63' ' ' TYR . 16.6 m -79.66 -27.21 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.3 t -86.59 8.94 20.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.2 40.2 34.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -103.34 111.03 23.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -78.56 -15.03 59.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -65.69 -19.81 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -117.97 135.09 54.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.024 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -115.76 148.04 40.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.022 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 61' ' ' LYS . 32.6 tp -96.18 114.39 26.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.71 154.64 30.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -126.63 105.41 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.25 104.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 6.9 m-20 63.42 71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 37.35 50.79 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.112 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -146.44 107.43 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 54' ' ' LEU . 49.8 mtmt -90.59 146.5 24.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -171.23 150.36 13.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.733 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.7 m-85 -83.18 118.77 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.88 163.02 22.58 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 142.2 27.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 97.7 p -79.89 -5.95 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.54 -19.15 26.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.487 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-85 -103.36 30.09 5.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.738 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -113.27 157.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.46 159.16 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -109.28 127.02 53.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.517 HG22 ' CG1' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -107.32 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 72' ' ' THR . 1.7 mt-10 -108.13 153.53 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.65 144.91 47.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.2 -150.9 20.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 87.89 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 p -162.91 159.1 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.11 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.939 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m 64.36 128.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -91.85 99.27 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 156.77 22.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -176.0 -58.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t 44.62 78.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.49 94.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 161.56 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -141.31 106.3 4.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.89 81.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -10.49 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.87 116.02 3.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -129.45 166.64 19.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -61.0 154.78 21.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.81 102.03 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' HB3' HG22 ' A' ' 69' ' ' ILE . 15.2 m-85 -119.58 156.22 30.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 33.2 p90 -141.83 145.31 34.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -54.18 118.07 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.669 HG22 ' CG ' ' A' ' 70' ' ' ARG . 42.9 t -55.6 -45.71 78.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.486 ' CE2' HG12 ' A' ' 19' ' ' VAL . 37.9 m-85 -134.24 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -67.97 115.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -111.42 162.37 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 143.63 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.79 116.24 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.65 -15.81 23.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.96 164.25 20.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -113.25 14.38 19.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.539 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 32.4 mt-10 -114.34 157.89 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 57' ' ' VAL . 1.9 tp -123.04 137.24 55.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.6 p -86.47 127.38 34.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.8 148.99 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 15.5 m -88.45 177.47 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.68 148.92 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ALA . 12.9 m-80 51.81 30.73 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 44.8 tp60 -99.76 120.17 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 149.02 50.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -150.04 147.88 28.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 110.29 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.6 mm -71.73 110.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.6 mt -80.44 -64.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.0 166.22 14.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -113.98 20.96 15.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -148.68 -168.37 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -136.05 170.85 15.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 46' ' ' VAL . 1.2 m -49.15 -37.57 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 p -68.65 -31.48 70.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 96.61 57.7 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 50.1 t-20 -139.06 132.72 30.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 p -82.94 50.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.449 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -116.38 -36.59 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ3' ' OE2' ' A' ' 29' ' ' GLU . 97.7 m95 -111.48 106.93 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -87.49 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 108.028 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 41' ' ' LEU . 16.3 tp -98.38 102.34 14.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.71 140.03 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.2 tt0 -116.9 118.53 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 HD21 ' A' ' 30' ' ' LEU . 70.9 t -92.65 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.628 ' N ' HG12 ' A' ' 57' ' ' VAL . 20.1 m120 -91.7 52.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.76 -32.51 4.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.14 119.14 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -104.31 137.12 42.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -162.01 149.71 18.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -72.9 128.77 36.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.825 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -124.27 160.38 52.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.825 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 140.86 25.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.1 p -79.1 -6.27 56.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -21.7 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' O ' HD13 ' A' ' 69' ' ' ILE . 5.2 m-85 -101.04 39.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.614 HD11 ' O ' ' A' ' 65' ' ' PRO . 1.7 mm -125.02 120.68 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.669 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -127.39 151.11 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 137.84 41.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -81.69 157.52 24.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -98.6 -44.85 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.8 p -174.65 139.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.66 159.9 0.28 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.19 13.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m 72.76 -67.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.04 -58.01 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -109.65 169.86 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -131.05 167.64 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.43 156.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -134.35 -45.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.17 84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.02 -134.26 12.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m 59.81 167.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 131.53 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.95 103.15 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -158.93 81.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.71 -115.59 7.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 49.77 96.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -82.64 160.47 22.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 72' ' ' THR . 70.2 t -147.45 115.02 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' O ' HD12 ' A' ' 38' ' ' LEU . 16.4 m-85 -111.64 151.54 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 20.1 p90 -133.38 157.05 46.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.07 136.25 57.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.9 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.2 t -68.28 -51.49 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -122.98 175.43 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -75.07 102.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -97.53 151.38 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.6 ttpm? -127.76 142.87 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 128.93 35.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -108.79 -20.69 12.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -122.28 167.26 14.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.42 13.21 20.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -103.36 167.59 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 60' ' ' LYS . 2.6 tp -126.1 137.1 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.0 p -96.19 118.99 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG13 ' HG ' ' A' ' 30' ' ' LEU . 14.5 m -139.72 142.26 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -82.83 -176.13 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.36 146.99 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 50.35 27.73 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 36' ' ' GLN . 17.0 tp60 -86.6 127.97 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -69.01 143.17 54.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -151.95 148.09 27.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.48 106.83 19.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 38' ' ' LEU . 7.7 mm -69.86 114.16 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.45 -65.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.96 142.75 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 97.3 m-85 -87.75 39.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -158.48 176.28 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -97.95 -88.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.0 m -80.07 52.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 46' ' ' VAL . 14.6 t 49.34 35.82 8.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.78 -97.75 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -40.29 128.57 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.1 p -97.31 49.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.66 -39.94 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -111.96 144.39 41.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 107.962 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.644 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 49.9 m0 -112.42 135.37 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -83.99 108.28 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.22 139.57 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' LYS . 42.5 tt0 -123.61 96.57 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.521 HG12 HD11 ' A' ' 30' ' ' LEU . 7.4 p -123.19 135.79 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.3 29.58 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.96 23.67 66.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.751 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttm -121.22 111.13 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 4.9 mtmm -88.28 155.92 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.86 156.58 13.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 21.9 m-85 -87.1 115.37 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.931 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -105.99 155.71 37.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.425 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 90.0 p -71.98 -16.51 62.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.25 -21.07 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 17.7 m-85 -102.53 38.63 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CZ3' ' A' ' 53' ' ' TRP . 7.3 mm -118.45 154.28 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.9 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.44 154.66 41.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -110.02 135.1 51.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 15' ' ' VAL . 40.0 p -73.62 103.82 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 64.37 122.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.1 t -139.94 -57.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.92 -171.67 12.27 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 154.62 42.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p 43.1 81.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 91.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -119.46 168.7 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -135.95 165.98 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.04 -164.1 10.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -113.54 97.4 6.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.752 . . . . 0.0 109.927 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 p -175.28 169.82 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.73 110.17 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.52 87.04 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -170.23 143.75 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.4 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 53.95 81.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.48 121.64 0.99 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -53.81 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -46.42 154.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.536 HG23 ' HE3' ' A' ' 37' ' ' LYS . 7.1 p -175.61 127.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 13.0 m-85 -130.7 147.29 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.5 p90 -128.03 156.66 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -65.89 127.8 33.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.642 HG22 ' CG ' ' A' ' 70' ' ' ARG . 6.1 t -72.91 -42.31 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -126.52 168.84 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 33' ' ' SER . 88.3 m -79.88 104.75 10.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 78.9 t80 -97.37 164.27 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 23.0 tttt -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 122.73 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -107.43 -25.39 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -110.15 164.25 15.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -119.36 22.85 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 68.7 mt-10 -126.35 145.49 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -111.0 140.32 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -90.12 132.38 35.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 16.4 m -133.96 167.34 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.652 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -110.32 172.17 7.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.37 130.32 36.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 4.8 m-20 83.57 -6.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.829 ' NE2' HD23 ' A' ' 38' ' ' LEU . 1.5 tt0 -67.81 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HE3' HG23 ' A' ' 15' ' ' VAL . 5.4 ttpt -72.68 151.83 42.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.829 HD23 ' NE2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -158.27 141.46 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 106.1 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.3 mm -66.17 90.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.1 mt -56.94 -66.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -123.2 -178.89 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.595 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.0 m-85 -122.85 32.36 5.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -153.35 -169.96 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 7.2 p30 -147.08 -175.25 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -37.2 -75.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.566 ' H ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -37.66 -46.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.33 -16.63 9.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 21.2 p30 -46.01 170.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.8 p -120.33 27.38 8.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 -9.46 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 75.7 m95 -128.47 139.41 52.35 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.595 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.7 m0 -116.59 143.89 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 41' ' ' LEU . 36.7 tp -90.28 96.25 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -97.77 139.53 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 41' ' ' LEU . 1.5 tt0 -120.19 115.27 23.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 58' ' ' ASN . 54.5 t -85.94 -102.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.702 ' N ' HG12 ' A' ' 57' ' ' VAL . 19.8 m-20 -102.04 60.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.11 -30.81 5.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -68.11 110.42 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.14 136.84 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -165.08 154.67 25.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 10.7 m-85 -79.64 127.59 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.57 163.61 33.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.861 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 144.11 30.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.8 p -81.91 -2.47 51.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.87 -20.69 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 6.6 m-85 -99.95 23.71 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.7 mm -107.72 158.98 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.642 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -145.47 156.86 43.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.14 125.13 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.497 ' HB ' HG13 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -104.8 167.28 9.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 72' ' ' THR . 7.9 pt-20 -112.68 162.16 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.7 p -104.41 160.46 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.02 -155.2 6.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -127.11 148.05 50.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.9 p -91.23 126.13 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t 65.22 126.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p 55.96 170.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.82 -85.02 0.56 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t 44.82 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.12 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.68 -129.25 24.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.7 164.38 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 pt-20 -121.38 47.63 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 9' ' ' GLU . . . 76.57 77.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.8 113.52 20.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.68 -112.23 4.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -169.13 -68.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -47.59 150.22 1.04 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.988 ' O ' HG22 ' A' ' 72' ' ' THR . 79.3 t -136.73 94.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' HD2' HG22 ' A' ' 69' ' ' ILE . 9.8 m-85 -106.41 153.59 22.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 38.3 p90 -138.19 153.2 49.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.19 130.61 46.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG22 ' CG ' ' A' ' 70' ' ' ARG . 14.8 t -70.21 -47.15 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -122.54 158.24 30.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 3.1 m -67.72 106.33 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.364 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' HG23 ' A' ' 32' ' ' VAL . 88.3 t80 -108.13 154.83 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.24 49.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -75.25 171.88 13.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 1.3 mpp_? -166.59 -36.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -97.0 160.56 28.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.2 Cg_endo -75.03 42.51 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.776 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 18.5 m-80 -175.76 33.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.48 142.35 50.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -109.71 141.51 42.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 138.73 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 22' ' ' PHE . 11.9 m -146.38 133.82 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -79.85 -178.09 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.81 137.47 36.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 63.9 13.02 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -78.56 122.85 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -59.34 150.71 25.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -162.59 126.23 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.46 112.59 17.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 38' ' ' LEU . 8.9 mm -75.31 103.2 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -70.14 -64.3 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.06 152.67 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 83.4 m-85 -96.44 13.68 27.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 145.15 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLY . 3.5 p30 -83.83 171.18 13.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -48.61 -40.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.6 p -56.4 -25.85 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 101.55 -9.26 57.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.59 123.82 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.9 p -87.36 44.26 1.17 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -113.81 -39.01 4.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -101.08 127.52 47.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 107.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.604 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 45.1 m0 -104.38 134.03 48.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 61' ' ' LYS . 17.0 tp -78.73 107.75 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.92 144.54 36.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.8 tt0 -124.64 108.96 12.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 70.9 t -117.62 110.92 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLY . 32.2 m-20 58.79 73.25 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . . . 36.84 56.51 1.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -154.25 106.36 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB3' HD11 ' A' ' 54' ' ' LEU . 12.1 mttm -86.2 150.5 24.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.27 152.61 17.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.49 123.73 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -122.84 162.85 36.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.247 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.841 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.02 143.63 29.21 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.4 p -79.23 -3.34 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -90.47 -22.17 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.1 m-85 -101.7 34.51 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.761 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.1 mm -115.72 151.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.605 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.9 159.29 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -121.52 124.79 45.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.4 t -82.68 153.94 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 56.62 104.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -108.12 105.95 15.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.64 159.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.05 23.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.4 t -171.93 85.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t 63.0 124.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -68.84 148.99 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -174.43 153.27 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.8 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 65.93 155.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -167.89 104.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.93 -160.55 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -131.74 -60.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 0.794 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 tt0 -138.3 -45.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' GLU . . . 69.59 122.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -106.99 171.01 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.78 -120.28 4.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.05 106.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.39 152.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.551 ' CG1' HG22 ' A' ' 72' ' ' THR . 9.1 p -174.61 127.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 7.2 m-85 -118.43 147.95 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' HE2' ' HG1' ' A' ' 72' ' ' THR . 49.1 p90 -129.14 154.48 46.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.51 136.97 57.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG3' ' A' ' 70' ' ' ARG . 3.4 t -85.02 -52.65 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.07 150.99 33.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -62.72 105.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' HB3' HG22 ' A' ' 32' ' ' VAL . 53.8 t80 -92.6 166.42 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -143.9 146.14 32.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.06 119.85 22.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -102.7 -24.54 13.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -120.13 164.11 24.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.09 9.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -117.21 26.47 9.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' OE2' ' CZ3' ' A' ' 52' ' ' TRP . 25.0 mt-10 -133.76 153.82 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -114.99 141.98 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -89.59 135.05 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG22 ' HB3' ' A' ' 22' ' ' PHE . 35.6 m -137.65 168.09 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 58.2 m -112.91 178.72 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 144.88 41.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.2 m-20 57.92 26.35 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -94.28 124.47 38.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -64.24 148.92 49.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -161.98 130.9 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 107.87 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 38' ' ' LEU . 7.3 mm -69.35 99.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.61 -69.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -119.55 179.22 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 91.4 m-85 -127.42 28.39 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.14 -169.45 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 1.3 p30 -141.0 170.45 15.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' H ' ' A' ' 47' ' ' THR . 8.9 m -41.56 -55.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.502 ' H ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -52.73 -40.74 63.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 104.89 59.27 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 51' ' ' GLU . 41.2 t-20 -138.02 134.91 35.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 49' ' ' ASN . 30.3 p -83.21 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' CD ' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -114.18 -25.54 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.609 ' CD1' ' CD ' ' A' ' 51' ' ' GLU . 97.3 m95 -123.0 109.14 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.009 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.482 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 38.3 m0 -87.85 143.68 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -93.72 104.48 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.63 142.8 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.81 115.85 25.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 58' ' ' ASN . 76.5 t -91.35 -98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.588 ' N ' HG12 ' A' ' 57' ' ' VAL . 26.4 m-80 -89.53 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.82 -28.06 7.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.835 ' O ' HD13 ' A' ' 30' ' ' LEU . 69.3 mttt -70.18 104.12 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -84.15 139.25 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -161.84 146.83 12.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -72.36 118.72 15.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -111.09 164.36 15.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.866 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.91 145.34 31.71 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.6 p -86.56 5.8 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.51 -28.82 13.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 18.0 m-30 -97.53 43.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.837 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.5 mm -120.77 154.58 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.98 156.82 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 126.86 52.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.551 HG22 ' CG1' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -106.79 168.35 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 72' ' ' THR . 0.7 OUTLIER -135.58 -55.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.98 83.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.4 160.19 3.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.5 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.5 t -99.35 85.93 3.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -135.33 165.37 25.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -128.24 162.46 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -54.72 112.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.38 -63.07 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 61.55 93.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -131.8 171.83 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.052 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.1 179.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.17 162.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 61.62 125.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.54 153.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.55 145.49 47.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.49 135.13 12.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.02 154.2 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 48.91 98.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.4 100.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' HB3' HG22 ' A' ' 69' ' ' ILE . 12.3 m-85 -104.79 152.43 22.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -134.46 156.47 48.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -72.7 76.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.759 HG13 ' CD2' ' A' ' 20' ' ' TYR . 7.1 p -39.78 -30.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.759 ' CD2' HG13 ' A' ' 19' ' ' VAL . 63.1 m-85 -127.77 140.84 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.43 137.58 58.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 65' ' ' PRO . 24.4 t80 -135.72 151.94 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.75 141.83 51.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -84.96 92.37 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -77.29 -19.42 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -117.77 163.36 24.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.01 21.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.76 -16.94 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -86.18 148.13 25.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 55' ' ' ALA . 1.9 tp -106.91 140.46 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 p -95.13 125.13 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.647 HG12 HG21 ' A' ' 57' ' ' VAL . 3.1 m -140.29 133.26 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.3 m -75.3 -176.95 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' ASN . . . -76.3 155.94 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 18.3 p30 41.78 34.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -101.28 121.98 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 146.5 48.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -153.39 148.9 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 14.0 tppt? -91.14 115.81 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.548 HD11 HD13 ' A' ' 38' ' ' LEU . 4.7 mm -82.66 88.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.828 HD12 ' HG ' ' A' ' 54' ' ' LEU . 71.3 mt -59.47 -65.19 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -123.23 179.62 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 56.6 m-85 -126.29 25.71 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -143.07 -165.88 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.77 173.57 11.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' H ' ' A' ' 47' ' ' THR . 10.1 m -42.83 -58.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.597 ' H ' HG23 ' A' ' 46' ' ' VAL . 53.9 p -50.38 -41.54 52.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.29 32.93 2.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -103.34 135.88 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 p -85.11 47.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -116.67 -36.61 3.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 95.5 m95 -107.75 125.53 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.609 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 41.9 m0 -102.26 154.28 19.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.828 ' HG ' HD12 ' A' ' 41' ' ' LEU . 10.2 tp -96.45 98.61 10.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -88.73 141.33 28.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HB2' HD11 ' A' ' 41' ' ' LEU . 25.2 tt0 -125.19 97.85 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.647 HG21 HG12 ' A' ' 32' ' ' VAL . 93.2 t -92.86 76.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 54.16 69.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.78 -50.31 2.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 2.1 mmtp -54.33 104.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.74 143.12 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.92 160.21 24.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.543 ' OH ' HG13 ' A' ' 46' ' ' VAL . 10.0 m-85 -84.04 138.28 33.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.749 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -136.8 169.44 13.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.749 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.0 135.27 18.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 83.8 p -73.94 -4.63 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -88.07 -22.39 24.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.589 ' CD2' ' HB2' ' A' ' 20' ' ' TYR . 3.0 m-85 -93.48 8.41 40.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 ' O ' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -108.0 103.84 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -118.76 138.65 52.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -84.94 143.89 28.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.6 p -75.97 100.34 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -92.4 114.97 27.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -90.3 105.47 17.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.73 148.47 42.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 91.98 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -107.8 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 m 60.71 117.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.85 169.85 16.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.29 -58.82 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.26 108.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.61 161.32 9.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 115.1 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.24 -136.58 34.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.94 100.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -111.95 39.5 2.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.76 86.2 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.98 80.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.8 -127.65 1.9 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.28 171.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -111.45 153.85 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.964 ' O ' HG22 ' A' ' 72' ' ' THR . 96.3 t -146.83 111.07 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.663 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.0 m-85 -100.27 153.51 19.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 32.2 p90 -137.51 155.73 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -71.95 139.82 48.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.836 HG22 ' HG3' ' A' ' 70' ' ' ARG . 1.8 t -83.63 -48.82 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -118.36 141.42 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 34' ' ' ALA . 15.9 m -58.16 103.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 46.9 t80 -86.95 166.46 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -138.64 126.77 22.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.9 131.29 41.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.05 -22.87 11.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' OD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -121.48 164.5 24.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -98.29 -16.42 19.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' CD ' ' OD1' ' A' ' 26' ' ' ASN . 95.8 mt-10 -96.97 142.66 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.0 p -86.15 133.22 33.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.8 m -136.49 148.02 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -92.87 168.69 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -68.92 142.19 54.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 60.92 23.83 13.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 54.1 tp60 -86.08 157.29 20.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.862 ' C ' HD13 ' A' ' 38' ' ' LEU . 7.3 tttt -99.66 133.07 44.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.862 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -140.47 154.82 46.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 13.0 tppt? -104.7 114.04 28.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.591 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -77.36 92.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 56' ' ' GLU . 88.4 mt -66.92 -60.99 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -129.07 157.63 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -102.38 29.11 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -173.66 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.834 ' OD2' HG22 ' A' ' 47' ' ' THR . 55.6 p30 -133.36 -169.19 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.78 HG13 ' OH ' ' A' ' 63' ' ' TYR . 11.4 m -66.25 -35.97 76.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.834 HG22 ' OD2' ' A' ' 45' ' ' ASP . 14.9 t -91.1 31.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.73 63.1 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 35.0 t-20 -130.5 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -59.9 -22.28 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -51.6 -29.09 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -113.3 127.95 56.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -111.43 143.24 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 41' ' ' LEU . 8.2 tp -86.58 101.27 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -94.37 150.26 20.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HB2' HD11 ' A' ' 41' ' ' LEU . 32.7 tt0 -134.43 104.86 6.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 57' ' ' VAL . 54.5 t -100.78 74.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 62.63 69.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.65 -50.62 4.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -55.53 109.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 5.0 mtmp? -111.25 159.13 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.3 163.37 24.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.44 1.088 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.78 ' OH ' HG13 ' A' ' 46' ' ' VAL . 14.2 m-85 -91.14 126.65 36.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.59 167.0 13.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.865 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.01 139.97 24.87 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.449 1.763 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.404 ' HA ' HG13 ' A' ' 69' ' ' ILE . 88.2 p -80.94 1.25 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -92.83 -33.93 14.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 19.8 m-30 -93.78 41.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 6.5 mm -116.92 163.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.836 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -162.31 154.58 19.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.333 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.6 128.29 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.964 HG22 ' O ' ' A' ' 15' ' ' VAL . 10.1 t -88.02 160.23 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -104.35 132.9 50.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.07 98.45 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.34 143.94 0.36 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.67 42.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -125.25 100.56 6.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -59.57 113.55 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -120.27 118.43 30.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -117.97 148.38 42.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.4 -161.95 0.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -98.37 123.98 42.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.16 102.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.056 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.48 -161.02 32.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 t 64.52 90.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -178.26 123.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.08 170.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.67 132.32 40.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.81 104.69 1.05 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.33 162.03 21.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 61.07 141.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.822 HG13 ' HB ' ' A' ' 72' ' ' THR . 2.4 p -156.62 117.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -138.38 147.29 43.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 9.2 p90 -131.26 149.56 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -57.2 130.32 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.891 HG22 ' CG ' ' A' ' 70' ' ' ARG . 32.2 t -61.83 -53.09 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -124.98 165.75 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.598 HG23 ' HA ' ' A' ' 33' ' ' SER . 94.7 m -65.33 110.28 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -104.19 151.03 23.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -123.21 136.34 54.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 122.44 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.8 -22.3 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -106.51 165.93 12.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.83 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -83.43 -37.19 23.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.19 149.95 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -113.23 135.34 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -85.07 127.85 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 38' ' ' LEU . 19.7 m -138.82 129.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.598 ' HA ' HG23 ' A' ' 21' ' ' THR . 2.2 m -74.06 -176.51 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -77.21 138.35 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 58.82 23.43 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.5 tp60 -88.0 119.38 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 150.19 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.832 HD12 HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -155.14 148.96 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 109.08 20.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD12 ' A' ' 38' ' ' LEU . 5.1 mm -73.97 108.92 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 56' ' ' GLU . 95.9 mt -75.2 -61.78 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.09 153.86 46.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.33 28.31 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 3.2 ptpt -151.6 153.95 35.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 10.1 t0 -72.29 -155.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 63' ' ' TYR . 12.0 m -78.17 -27.91 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 49' ' ' ASN . 11.7 t -98.33 44.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.85 28.12 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.604 ' HB2' HG23 ' A' ' 47' ' ' THR . 45.6 t30 -89.84 127.43 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 p -82.49 50.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -118.93 -38.86 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -113.04 143.41 44.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.658 ' CZ3' HG21 ' A' ' 69' ' ' ILE . 41.0 m0 -112.97 132.36 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 41' ' ' LEU . 54.5 tp -79.08 96.04 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -92.62 147.81 22.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.605 ' HB2' HD11 ' A' ' 41' ' ' LEU . 35.1 tt0 -138.52 94.35 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 30' ' ' LEU . 11.3 p -119.82 148.65 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 60.59 20.86 10.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.62 80.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.565 1.166 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.803 ' O ' HD13 ' A' ' 30' ' ' LEU . 9.9 mttt -112.96 108.36 17.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 25.1 mtpt -78.85 152.08 31.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 54' ' ' LEU . . . 178.54 163.12 29.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 39.5 m-85 -100.91 124.38 46.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.852 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.4 164.1 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.852 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.01 144.55 30.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.45 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 89.7 p -81.71 -1.37 46.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -91.07 -24.64 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.444 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.3 m-85 -102.22 35.23 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 65' ' ' PRO . 7.3 mm -111.16 152.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.73 154.19 42.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.0 137.78 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.822 ' HB ' HG13 ' A' ' 15' ' ' VAL . 26.1 m -89.39 33.89 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' THR . 14.0 pt-20 -49.84 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.8 t 179.41 -45.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.76 153.86 27.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.21 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.5 -57.96 2.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -161.81 -58.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -71.86 153.22 42.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.97 166.33 33.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -84.9 162.35 19.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -66.16 -57.54 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -154.73 26.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -61.94 149.74 39.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -112.86 73.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.237 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.27 106.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -121.05 167.51 12.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.86 140.41 3.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -59.4 -164.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.623 ' CG ' ' O ' ' A' ' 14' ' ' GLN . 4.9 pt20 33.34 99.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.69 ' O ' HG23 ' A' ' 72' ' ' THR . 70.6 t -138.77 103.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.681 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-85 -105.97 156.93 17.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 70' ' ' ARG . 30.7 p90 -135.21 155.51 50.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -69.98 137.03 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' HG2' ' A' ' 70' ' ' ARG . 2.4 t -71.46 -48.28 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.503 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 6.8 m-85 -132.1 154.99 48.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -57.07 102.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 55.8 t80 -86.91 168.74 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -141.34 135.54 30.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.39 136.58 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -113.34 -27.31 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 164.32 16.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.15 9.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -105.55 -23.38 12.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 79.4 mt-10 -87.43 141.13 28.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CB ' ' HA3' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -107.54 140.9 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.9 p -84.49 136.73 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.514 HG12 HG21 ' A' ' 57' ' ' VAL . 3.3 m -133.62 146.68 31.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -85.95 171.63 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' N ' ' A' ' 21' ' ' THR . . . -78.05 141.21 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 63.53 14.3 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 30.3 tp60 -81.27 155.99 25.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.883 ' C ' HD13 ' A' ' 38' ' ' LEU . 8.3 mtpm? -98.35 135.19 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -136.2 133.54 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.741 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.1 112.01 20.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.529 HG21 ' CE1' ' A' ' 43' ' ' PHE . 4.8 mm -72.1 111.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.741 HD23 ' HE2' ' A' ' 39' ' ' LYS . 16.3 mt -83.21 -58.4 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -134.86 143.47 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 40' ' ' ILE . 88.5 m-85 -92.03 27.01 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 148.48 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 8.3 p30 -102.36 173.03 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 47' ' ' THR . 16.2 m -45.89 -48.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 46' ' ' VAL . 57.5 p -51.53 -33.01 30.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 73.15 66.7 1.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 33.4 t30 -128.32 8.74 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ASN . 11.5 p 37.78 34.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -113.26 -31.72 6.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 98.4 m95 -105.6 107.85 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.426 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.4 m0 -90.0 130.29 36.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.491 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.2 tp -78.8 101.61 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.631 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -107.24 142.81 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.738 ' HB2' HD11 ' A' ' 41' ' ' LEU . 53.8 tt0 -123.27 117.96 26.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 58' ' ' ASN . 73.2 t -103.47 -103.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -73.26 80.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 36.81 33.86 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 1.7 mttm -135.91 130.05 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 41' ' ' LEU . 7.8 mttp -99.68 148.01 24.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -166.25 147.86 12.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -78.87 109.58 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.859 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -103.59 162.37 20.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.859 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -81.33 -3.03 51.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -21.09 22.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.473 ' C ' HD13 ' A' ' 69' ' ' ILE . 17.9 m-85 -103.07 35.65 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.0 mm -117.69 146.93 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.822 ' HG2' HG22 ' A' ' 19' ' ' VAL . 1.6 mmp_? -138.46 154.33 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.09 132.31 54.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 15' ' ' VAL . 71.8 p -75.02 103.7 5.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' GLY . 12.5 pt-20 -78.27 131.18 36.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.86 -65.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . -176.03 -176.61 44.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 66.88 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -171.14 154.68 4.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 t -165.96 121.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p 46.37 89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -105.47 132.61 51.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.59 147.69 17.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -156.52 158.39 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m 62.36 111.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.83 129.71 10.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.2 p -172.21 168.74 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.23 84.36 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.03 169.23 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 58.46 113.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.29 163.19 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.26 -63.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -42.76 155.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.8 t -142.56 107.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 5.7 m-85 -114.25 150.24 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 7.0 p90 -137.5 159.17 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -74.4 126.32 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.79 HG22 ' HG2' ' A' ' 70' ' ' ARG . 17.3 t -55.43 -57.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -115.71 -178.08 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 33' ' ' SER . 20.6 m -85.07 108.56 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 79.2 t80 -103.58 162.34 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 1.9 tptt -140.85 151.48 44.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 130.42 39.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -110.01 -25.53 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.262 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -117.49 161.34 34.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.5 Cg_endo -74.92 55.3 3.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 24.3 m-80 -166.42 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.52 147.69 44.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -105.79 136.84 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 137.09 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' PHE . 35.8 m -147.29 129.35 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 21' ' ' THR . 62.7 m -75.1 -173.19 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -79.85 139.28 37.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 60.99 20.67 11.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -83.31 114.09 21.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.27 144.65 19.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -154.01 134.3 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.76 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -88.08 110.81 20.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.432 HD11 HD13 ' A' ' 38' ' ' LEU . 5.1 mm -70.36 107.91 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 56' ' ' GLU . 18.3 mt -75.47 -68.95 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.53 167.94 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 94.2 m-85 -112.76 31.34 6.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.75 -170.61 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.855 ' OD2' HG22 ' A' ' 47' ' ' THR . 51.9 p30 -132.18 -170.01 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' OH ' ' A' ' 63' ' ' TYR . 3.4 m -66.1 -36.51 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.855 HG22 ' OD2' ' A' ' 45' ' ' ASP . 12.5 t -90.39 32.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 39.48 61.69 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.5 t-20 -125.76 127.94 46.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.8 p -89.8 39.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.91 -22.95 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.501 ' CE3' ' C ' ' A' ' 64' ' ' VAL . 56.5 m95 -133.52 114.75 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 107.975 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 50.4 m0 -86.82 173.5 9.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 107.99 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 29.9 tp -113.97 104.88 12.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.804 ' HB3' HG21 ' A' ' 64' ' ' VAL . . . -105.87 140.8 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.92 ' HB2' HD11 ' A' ' 41' ' ' LEU . 34.1 tt0 -118.49 97.79 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 HD21 ' A' ' 30' ' ' LEU . 32.8 m -115.57 135.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 57.28 55.36 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 41.96 35.03 1.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -129.61 122.39 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -96.39 139.15 32.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -172.1 138.59 4.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' OH ' HG13 ' A' ' 46' ' ' VAL . 5.0 m-85 -69.91 116.02 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -101.48 156.84 34.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 98.5 p -53.65 -19.78 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.93 -17.8 60.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 8.0 m-85 -112.02 41.2 2.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 30.8 mm -113.49 162.69 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.79 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -165.82 156.95 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 72' ' ' THR . 3.3 tttt -123.22 99.07 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 71' ' ' LYS . 4.7 p 33.48 -149.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.23 139.44 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.6 p -94.77 132.52 39.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.26 179.3 25.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.73 6.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.66 85.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -39.43 -57.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -178.29 117.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 63.32 159.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.22 109.88 3.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -146.78 81.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.73 154.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.57 79.43 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.63 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.75 130.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.41 126.86 26.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.76 84.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.11 172.91 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.42 100.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.3 pm0 -48.07 157.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 14' ' ' GLN . 18.3 t -159.98 122.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.672 ' O ' HD22 ' A' ' 38' ' ' LEU . 7.0 m-85 -115.1 156.27 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 70' ' ' ARG . 33.3 p90 -136.23 146.28 46.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.633 ' H ' HD11 ' A' ' 38' ' ' LEU . . . -52.58 123.77 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 70' ' ' ARG . 12.9 t -68.8 -23.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 19' ' ' VAL . 56.1 m-85 -153.13 153.58 33.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.14 120.2 9.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 54.3 t80 -120.11 163.05 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 53.6 tttm -134.24 146.06 49.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.25 124.64 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -101.14 -29.86 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' ND2' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -113.25 164.3 16.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -103.45 -20.5 14.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.537 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.7 mt-10 -81.76 171.95 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD21 HG23 ' A' ' 57' ' ' VAL . 1.8 tp -136.49 141.94 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.9 p -85.56 132.11 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.76 124.0 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -70.41 178.27 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.75 144.35 33.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 61.89 13.75 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PHE . 34.4 tp60 -78.62 152.64 31.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.944 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.6 mtpt -98.71 135.93 39.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.944 HD13 ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -134.92 145.75 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 105.88 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.3 mm -66.87 107.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' HG ' ' A' ' 54' ' ' LEU . 76.6 mt -83.05 -58.37 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.9 160.58 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 40' ' ' ILE . 56.2 m-85 -109.76 31.41 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -158.73 170.3 22.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 42.2 p30 -108.63 -176.1 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.658 HG13 ' OH ' ' A' ' 63' ' ' TYR . 8.9 m -62.49 -20.54 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.417 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 1.5 p -99.61 33.73 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.76 45.76 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 19.1 t30 -113.51 122.38 47.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 p -82.67 50.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.96 -35.6 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 83.9 m95 -109.69 131.3 55.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 64' ' ' VAL . 39.2 m0 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.562 ' HG ' HD12 ' A' ' 41' ' ' LEU . 15.1 tp -80.8 94.39 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -95.8 149.44 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HB2' HD11 ' A' ' 41' ' ' LEU . 10.2 tt0 -128.54 119.36 24.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.623 HG12 ' N ' ' A' ' 58' ' ' ASN . 58.8 t -93.19 -98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.623 ' N ' HG12 ' A' ' 57' ' ' VAL . 24.2 m-20 -103.51 55.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.08 -33.21 4.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -67.02 108.98 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 14.3 mttp -102.18 137.98 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -164.85 154.51 25.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.11 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.658 ' OH ' HG13 ' A' ' 46' ' ' VAL . 6.7 m-85 -76.74 121.19 22.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -115.16 163.95 18.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.03 143.99 29.61 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 91.9 p -82.45 -13.74 56.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -80.96 -17.23 51.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.422 ' C ' HD13 ' A' ' 69' ' ' ILE . 7.0 m-85 -105.0 30.4 5.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.7 mm -115.69 136.63 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 1.014 ' HB2' HG22 ' A' ' 19' ' ' VAL . 4.2 tpt180 -122.58 153.64 39.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -107.87 132.8 53.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -78.14 103.76 8.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.25 -65.12 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.83 84.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.26 148.51 20.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.17 36.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.812 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 165.96 22.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.8 p -164.26 93.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p 55.86 167.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -147.03 -60.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.34 -161.21 28.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 133.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -175.16 169.42 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.17 172.43 35.86 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -100.08 152.43 20.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -113.11 -28.78 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.48 138.88 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -120.22 115.97 24.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.26 -131.21 10.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.8 171.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -69.56 143.75 53.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.36 108.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' O ' HD12 ' A' ' 38' ' ' LEU . 23.5 m-85 -118.54 148.75 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 45.7 p90 -130.36 153.15 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -66.87 132.83 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.68 HG22 ' CG ' ' A' ' 70' ' ' ARG . 15.7 t -72.73 -48.3 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.47 148.2 44.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.6 m -58.8 101.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.356 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . 76.9 t80 -93.42 171.27 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -149.78 147.51 28.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -76.78 173.31 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.518 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -165.4 -36.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -98.06 165.25 15.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.449 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.3 Cg_endo -75.04 55.23 3.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' PRO . 15.4 m-80 -174.39 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -62.14 144.59 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -116.5 145.22 43.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 m -86.79 129.19 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 57' ' ' VAL . 16.1 m -135.66 149.14 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -88.73 174.95 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -77.55 140.81 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ALA . 83.7 m-20 58.74 24.2 12.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -93.49 122.93 36.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -65.79 144.55 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.19 107.66 17.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.4 mm -66.39 120.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.084 ' CB ' HD13 ' A' ' 54' ' ' LEU . 25.8 mt -91.42 -28.56 17.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 20.3 mt-10 -162.51 171.23 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.601 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 50.8 m-85 -117.75 14.64 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -161.7 130.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.551 ' CG ' HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -63.52 172.14 2.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' GLY . 9.3 m -47.23 -52.1 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' CG ' ' A' ' 45' ' ' ASP . 1.5 t -41.69 -27.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' VAL . . . 105.25 -23.14 31.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 47' ' ' THR . 37.0 t-20 -53.3 135.97 37.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 44' ' ' LYS . 57.8 p -96.02 41.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.06 -27.96 11.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.28 141.59 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 26.8 m0 -114.08 140.69 48.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.084 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -81.04 123.92 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.02 135.35 48.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -125.33 108.69 11.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 30' ' ' LEU . 83.4 t -88.27 -106.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.664 ' N ' HG12 ' A' ' 57' ' ' VAL . 72.1 m-20 -79.16 87.29 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.24 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' ASN . 4.2 mttm -127.71 107.6 10.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -78.97 150.58 31.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 30' ' ' LEU . . . -174.54 153.44 16.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.4 m-85 -94.03 135.3 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -123.65 165.86 21.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.731 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.1 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.7 p -81.81 5.86 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 -24.17 14.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -100.07 28.82 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.4 mm -107.04 158.97 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.68 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -149.0 160.28 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -121.69 132.75 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.7 p -74.02 103.39 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.67 57.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.6 p -113.06 135.87 53.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.06 151.58 51.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.71 26.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.482 1.78 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.1 p -176.27 161.14 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.938 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.16 29.65 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 t -94.7 140.03 30.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -155.04 139.91 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.34 -112.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m 57.45 104.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -73.58 161.94 29.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 -138.94 6.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -91.05 166.64 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.6 84.63 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.15 151.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.07 156.64 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.06 121.92 3.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -135.19 95.87 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.445 ' C ' HG23 ' A' ' 15' ' ' VAL . 96.2 mt-30 -72.04 146.87 47.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.945 ' O ' HG22 ' A' ' 72' ' ' THR . 57.9 t -153.49 113.73 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.79 148.54 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 39.0 p90 -128.34 149.54 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -61.98 130.93 47.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.822 HG22 ' CG ' ' A' ' 70' ' ' ARG . 11.3 t -64.68 -44.76 96.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -133.14 164.13 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.167 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -65.98 106.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 65' ' ' PRO . 67.8 t80 -100.08 150.58 22.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 144.43 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' O ' ' CD ' ' A' ' 25' ' ' ARG . . . -73.78 171.83 12.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -164.42 -36.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -99.7 164.85 15.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 5.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -131.77 34.93 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 26' ' ' ASN . 2.9 mt-10 -131.53 159.5 37.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HG23 ' A' ' 57' ' ' VAL . 1.4 tp -126.36 148.78 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -97.25 122.34 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 57' ' ' VAL . 19.0 m -129.18 174.55 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -114.44 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.11 136.48 37.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 60.65 17.26 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -86.72 119.06 26.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HE2' ' CG1' ' A' ' 15' ' ' VAL . 2.2 ttmt -60.51 149.54 34.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -152.2 133.32 14.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 108.45 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 5.2 mm -66.38 118.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.072 ' CB ' HD13 ' A' ' 54' ' ' LEU . 20.3 mt -89.65 -30.67 17.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 41' ' ' LEU . 24.5 mt-10 -161.92 171.46 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 62.1 m-85 -117.8 11.05 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.24 134.01 9.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.82 173.95 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 47' ' ' THR . 16.0 m -45.58 -57.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.54 ' H ' HG23 ' A' ' 46' ' ' VAL . 40.8 p -38.02 -35.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.57 -8.46 30.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.35 139.91 58.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 p -101.44 36.11 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.64 -24.32 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 75.7 m95 -118.27 144.59 45.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 28.1 m0 -116.64 146.18 42.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.072 HD13 ' CB ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -86.39 126.54 34.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' N ' HD23 ' A' ' 54' ' ' LEU . . . -130.89 142.41 50.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.4 tt0 -127.47 103.27 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.023 HG23 HD21 ' A' ' 30' ' ' LEU . 86.1 t -77.7 -106.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 57' ' ' VAL . 3.2 t-20 -83.82 50.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -26.37 7.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.875 ' O ' HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -68.78 105.27 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' CG ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 mtmt -84.42 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.98 156.88 22.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' CE1' ' HG ' ' A' ' 54' ' ' LEU . 17.1 m-85 -90.49 135.36 33.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 0.758 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -120.24 166.44 15.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.832 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.97 143.45 29.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.8 p -77.63 -1.07 29.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -94.17 -20.7 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 7.7 m-85 -103.16 35.75 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.565 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.8 mm -117.17 155.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.822 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -147.55 149.88 33.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.6 130.8 49.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.945 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.0 t -97.05 150.8 20.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -119.56 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -42.88 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.83 147.81 8.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.73 42.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.28 159.38 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.7 p -145.09 154.36 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.062 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -164.67 163.32 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -138.59 123.54 18.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.33 -80.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.61 159.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 0.797 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.01 165.51 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.69 -161.66 9.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.1 p -100.64 122.76 43.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.54 126.06 16.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.18 164.8 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.89 127.33 44.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.32 79.11 1.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.02 152.69 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -57.03 152.4 13.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.38 93.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -108.06 150.45 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 41.0 p90 -136.45 152.2 50.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -64.94 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 70' ' ' ARG . 5.5 t -79.35 -39.5 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.508 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 41.6 m-85 -129.63 172.17 11.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.721 HG23 ' HA ' ' A' ' 33' ' ' SER . 97.7 m -83.69 94.55 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 88.8 t80 -91.13 169.13 11.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 1.5 ttmt -149.98 143.04 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.31 129.91 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -111.24 -19.19 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.35 164.1 23.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -166.14 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.78 177.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.736 HD12 HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.59 152.96 50.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.625 ' N ' HD13 ' A' ' 30' ' ' LEU . 3.4 p -103.86 103.99 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG13 HD12 ' A' ' 30' ' ' LEU . 33.3 m -130.65 125.59 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.721 ' HA ' HG23 ' A' ' 21' ' ' THR . 71.9 m -75.54 -178.36 4.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -76.88 141.36 40.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 58.33 24.35 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -93.41 123.11 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -59.3 150.08 26.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -158.15 125.99 5.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.848 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -80.99 111.12 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' N ' ' A' ' 40' ' ' ILE . 5.4 mm -70.07 108.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.848 HD23 ' HE2' ' A' ' 39' ' ' LYS . 27.9 mt -78.99 -65.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -120.8 -176.46 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 85.5 m-85 -131.72 38.28 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 154.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.514 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 17.3 p-10 -108.54 -174.91 2.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 47' ' ' THR . 22.8 m -48.32 -47.92 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.403 ' N ' HG23 ' A' ' 46' ' ' VAL . 81.0 p -51.5 -21.68 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.8 -26.7 15.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 51' ' ' GLU . 48.3 t-20 -53.61 139.73 30.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 9.7 p -91.9 39.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . 2.7 mt-10 -107.85 -19.2 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -111.37 106.32 15.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 44.3 m0 -91.66 142.4 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 41' ' ' LEU . 17.7 tp -91.16 101.36 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.36 148.32 26.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -112.83 117.51 32.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 30' ' ' LEU . 14.0 t -137.7 136.86 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 52.6 35.81 19.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.65 7.45 47.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -104.62 127.2 52.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 0.733 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -109.46 128.1 54.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.563 ' CA ' ' HB2' ' A' ' 30' ' ' LEU . . . -150.76 161.88 29.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' ASP . 7.8 m-85 -82.31 108.23 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -102.99 160.49 26.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.99 146.1 32.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 87.7 p -80.51 -10.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.72 -21.27 34.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.485 ' C ' HD13 ' A' ' 69' ' ' ILE . 6.5 m-85 -102.44 35.57 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 65' ' ' PRO . 5.3 mm -115.94 152.9 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.908 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.02 154.33 38.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.15 127.76 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.8 p -62.48 103.53 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -49.14 -52.89 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m 55.47 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.33 160.0 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.39 26.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m 59.07 86.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.16 124.25 30.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 -58.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.99 167.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.5 156.71 7.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -163.23 -55.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m 61.93 140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.7 163.3 30.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.71 117.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.77 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 62.93 127.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.14 73.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.73 142.98 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.46 74.27 0.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER 174.54 164.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 13' ' ' ASN . 44.8 mt-30 59.29 151.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' CG1' HG22 ' A' ' 72' ' ' THR . 12.3 p -175.44 127.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.71 ' O ' HD22 ' A' ' 38' ' ' LEU . 10.8 m-85 -120.12 153.14 36.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 48.5 p90 -133.79 158.51 43.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . . . -71.91 121.83 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' CG ' ' A' ' 70' ' ' ARG . 4.5 t -63.91 -29.57 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD2' ' HB ' ' A' ' 19' ' ' VAL . 42.3 m-85 -141.99 160.26 40.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 34' ' ' ALA . 1.3 m -68.3 113.96 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CE1' ' NE ' ' A' ' 25' ' ' ARG . 78.2 t80 -111.24 128.07 55.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' O ' ' C ' ' A' ' 24' ' ' ALA . 1.9 mmtt -114.84 109.45 18.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' LYS . . . -27.52 138.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -117.31 -14.14 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -132.85 161.99 60.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.43 3.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.803 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -167.08 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.59 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 91.6 mt-10 -65.28 150.58 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -107.1 138.93 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 24' ' ' ALA . 18.9 m -85.95 119.43 26.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 22' ' ' PHE . 15.6 m -119.54 116.37 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.06 174.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -77.92 127.73 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 9.5 m-20 82.98 -2.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 7.8 tp60 -63.52 150.04 44.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.851 ' C ' HD13 ' A' ' 38' ' ' LEU . 3.7 mtpm? -98.06 134.35 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -134.55 137.76 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.763 ' HE2' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -93.32 108.24 19.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.9 mm -64.03 113.57 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.939 HD11 ' HB2' ' A' ' 56' ' ' GLU . 26.6 mt -87.87 -62.52 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.28 156.5 38.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -106.06 32.26 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -153.36 -164.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -147.38 174.53 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG23 ' H ' ' A' ' 47' ' ' THR . 5.8 m -41.8 -60.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.616 ' H ' HG23 ' A' ' 46' ' ' VAL . 62.8 p -49.93 -34.99 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASP . . . 102.39 30.19 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 53.0 t-20 -102.59 135.76 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 66.4 p -86.26 45.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -111.45 -30.53 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 89.1 m95 -111.52 128.5 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.424 ' O ' HG23 ' A' ' 64' ' ' VAL . 44.7 m0 -105.45 139.32 40.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -87.67 101.07 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -104.08 132.99 49.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.939 ' HB2' HD11 ' A' ' 41' ' ' LEU . 31.6 tt0 -108.15 109.04 20.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.744 ' CG2' HD11 ' A' ' 30' ' ' LEU . 7.1 m -130.76 134.31 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 61.16 44.24 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.8 34.85 22.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -131.58 122.28 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -95.5 132.38 40.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.66 140.44 6.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -68.41 142.48 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -138.91 163.24 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.95 144.6 30.63 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.457 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 86.5 p -84.12 -1.22 54.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.85 -19.5 21.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 6.3 m-85 -103.22 25.29 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.707 HD11 ' O ' ' A' ' 65' ' ' PRO . 3.9 mm -107.2 164.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.62 ' CG ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -156.46 160.2 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.325 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 7.0 ttpt -109.07 135.15 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.568 HG22 ' CG1' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.76 166.42 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 72' ' ' THR . 2.7 pm0 -164.84 138.1 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.51 85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.31 120.05 10.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -43.12 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.96 156.22 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -172.53 84.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.64 -58.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 m -140.03 -58.45 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.86 81.38 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.51 136.01 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.75 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.32 97.69 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.34 72.26 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.4 p -153.18 161.46 42.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.28 78.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.07 133.26 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.37 89.85 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.31 9.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.418 1.074 . . . . 0.0 111.026 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.41 -66.51 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.71 110.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 72' ' ' THR . 54.0 t -126.38 87.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -102.35 146.43 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 31.5 p90 -128.3 150.37 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB2' HD21 ' A' ' 38' ' ' LEU . . . -62.2 143.84 56.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.786 HG22 ' HG3' ' A' ' 70' ' ' ARG . 2.6 t -92.18 -49.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -116.45 135.55 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -49.48 105.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 32' ' ' VAL . 46.5 t80 -87.73 163.28 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 135.02 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.48 108.34 19.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -90.05 -28.16 19.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.51 163.24 18.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.21 21.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -90.56 -22.65 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 52' ' ' TRP . 81.9 mt-10 -87.46 143.1 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -103.89 129.88 51.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -80.99 138.65 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.55 HG11 HD22 ' A' ' 38' ' ' LEU . 33.5 m -148.85 146.68 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -91.79 179.13 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.7 132.57 37.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' ALA . 40.7 m-20 68.88 16.04 8.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -86.15 113.98 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -60.32 138.93 57.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -146.97 141.68 26.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -82.3 122.84 28.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 14.1 mm -93.12 115.67 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.677 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.9 mp -87.24 -58.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -119.01 -177.83 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.621 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.1 m-85 -132.99 14.34 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 149.61 19.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.629 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -72.42 -169.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -39.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.43 ' H ' HG23 ' A' ' 47' ' ' THR . 32.0 p -59.04 -26.84 64.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.44 -26.61 9.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -50.1 129.83 21.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 p -89.19 37.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.12 -36.57 10.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 29' ' ' GLU . 85.1 m95 -105.06 134.55 47.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.621 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 23.0 m0 -114.15 141.18 47.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 tp -86.09 126.32 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 39' ' ' LYS . . . -131.09 152.53 50.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.57 87.59 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.2 p -122.07 123.76 69.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.1 t-20 83.35 26.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.0 24.58 68.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.741 ' O ' HD13 ' A' ' 30' ' ' LEU . 2.6 mttp -128.31 116.84 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.47 156.68 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.34 149.84 6.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CE2' ' CG ' ' A' ' 45' ' ' ASP . 4.5 m-85 -76.03 135.09 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -119.83 161.44 38.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.924 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.06 139.29 23.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.9 p -81.44 5.0 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -99.02 -24.66 14.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 14.4 m-30 -104.59 47.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' O ' ' A' ' 65' ' ' PRO . 2.9 mm -122.78 152.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.786 ' HG3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.69 154.68 40.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -118.52 120.71 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 15' ' ' VAL . 76.5 p -56.44 101.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.29 148.23 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.5 m -94.41 122.62 37.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.17 -167.66 43.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.74 3.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.64 167.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.96 105.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -150.32 105.75 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -175.61 81.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.56 64.08 3.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 t -64.64 -59.62 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -92.74 81.78 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.38 -170.81 23.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.55 105.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -146.98 90.75 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.39 78.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.27 103.05 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -39.12 121.56 1.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -138.02 165.05 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.41 ' C ' HG23 ' A' ' 15' ' ' VAL . 2.2 pt20 -63.39 154.29 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' HG23 ' A' ' 72' ' ' THR . 84.3 t -151.72 112.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 26.7 m-85 -120.89 151.89 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 43.3 p90 -133.75 156.27 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -68.42 131.09 44.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.78 HG22 ' HG2' ' A' ' 70' ' ' ARG . 12.5 t -67.53 -43.36 87.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' HB ' ' A' ' 19' ' ' VAL . 32.3 m-85 -127.45 172.48 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -77.81 101.56 6.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.438 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 65' ' ' PRO . 16.1 t80 -110.24 128.48 55.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -110.93 156.3 21.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 30' ' ' LEU . . . -97.54 142.22 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 12.98 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -142.19 165.21 28.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.65 7.51 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.445 1.761 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 p30 -128.76 42.21 3.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -144.79 168.89 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -137.72 147.88 45.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -95.96 115.14 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 30' ' ' LEU . 17.7 m -131.18 117.99 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 24.9 m -67.93 179.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.83 143.96 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 48.34 29.62 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -93.01 119.48 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -63.46 138.07 58.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -142.25 139.16 31.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 106.7 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mm -68.15 101.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.22 -62.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -124.01 -177.24 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -130.8 24.49 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 149.41 11.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.697 ' CG ' HG22 ' A' ' 47' ' ' THR . 35.9 p30 -87.19 -173.33 4.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -69.55 -28.16 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.697 HG22 ' CG ' ' A' ' 45' ' ' ASP . 14.5 t -91.29 26.42 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.86 69.96 0.72 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 7.1 t-20 -141.55 100.4 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.3 p -63.72 -12.88 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.07 -21.91 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 64' ' ' VAL . 83.2 m95 -124.93 137.57 54.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -114.12 146.64 40.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 62' ' ' GLY . 14.0 tp -93.12 108.92 20.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' ' 38' ' ' LEU . . . -110.08 156.62 20.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 3.5 tt0 -122.31 121.53 36.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG21 HG12 ' A' ' 32' ' ' VAL . 77.4 t -114.21 74.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 61.19 68.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -55.52 3.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -54.6 125.66 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.695 ' C ' HD23 ' A' ' 30' ' ' LEU . 18.3 mtmt -134.84 124.88 25.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.861 ' N ' HD23 ' A' ' 30' ' ' LEU . . . -151.48 173.66 30.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.97 116.96 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -109.38 162.9 18.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.862 ' HD2' HG12 ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.96 144.71 30.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.452 ' HA ' ' CG1' ' A' ' 69' ' ' ILE . 84.3 p -81.41 -0.79 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -93.39 -23.24 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.442 ' CG ' ' HG2' ' A' ' 65' ' ' PRO . 7.3 m-85 -97.84 23.62 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 65' ' ' PRO . 4.7 mm -103.87 157.81 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.78 ' HG2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.25 158.94 44.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.3 tttp -122.82 129.4 51.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 15' ' ' VAL . 32.5 p -60.47 107.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -54.09 -51.26 64.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.9 p -176.95 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.43 156.7 32.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 136.21 20.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.9 t 58.81 162.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.1 m 70.43 -66.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.982 . . . . . . . . 0 0 . 1 stop_ save_